-
16-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8)... Molecule
InChIKey LZMRDTLRSDRUSU-UHFFFAOYSA-N Molecular Formula C17H14O6
Related Dataset(s)
-
19-[4-[5,10-bis(9,9-dimethylacridin-10-yl)-15,17,22-triazapentacyclo[12.8.0.0... Molecule
InChIKey VXSJUXHHISIOCI-UHFFFAOYSA-N Molecular Formula C108H84N10
Related Dataset(s)
-
19-[4-[5,10-bis(9,9-dimethylacridin-10-yl)-15,17,22-triazapentacyclo[12.8.0.0... Molecule
InChIKey DMZUOABUOWFVOT-UHFFFAOYSA-N Molecular Formula C106H80N10
Related Dataset(s)
-
19-bromo-5,10-bis(9,9-dimethylacridin-10-yl)-15,17,22-triazapentacyclo[12.8.0... Molecule
InChIKey BVKRGULQAWQNAW-UHFFFAOYSA-N Molecular Formula C49H36BrN5
Related Dataset(s)
- infrared absorption spectroscopy (IR)
- electrospray ionisation quadrupole detection (ESI Q Trap)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- heteronuclear single quantum coherence (HSQC)
- ultraviolet-visible spectrophotometry (UV-VIS)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
- correlation spectroscopy (COSY)
- heteronuclear multiple bond coherence (HMBC)
-
1H-imidazole Molecule
InChIKey RAXXELZNTBOGNW-UHFFFAOYSA-N Molecular Formula C3H4N2
Related Dataset(s)
- Imidazole; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
- Imidazole; ESI-QTOF; MS2; CE: 10; [M+H]+
- Imidazole; ESI-QTOF; MS2; CE: 20; [M-H]-
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- heteronuclear multiple bond coherence (HMBC)
- heteronuclear single quantum coherence (HSQC)
- Imidazole; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
- Imidazole; ESI-QTOF; MS2; CE: 20; [M+H]+
- Imidazole; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
- Imidazole; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
- Imidazole; ESI-QTOF; MS2; CE: 10; [M-H]-
- Imidazole; ESI-QTOF; MS2; CE: 40; [M+H]+
- distortionless enhancement with polarization transfer (DEPT)
- Imidazole; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
- Imidazole; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
- IMIDAZOLE; EI-B; MS
- correlation spectroscopy (COSY)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
-
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-1-[1-[(2-methylphenyl)methyl]-2... Molecule
InChIKey KTPIZOYTZMBWTA-UHFFFAOYSA-N Molecular Formula C30H18F15NO
Related Dataset(s)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- heteronuclear single quantum coherence (HSQC)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- mass spectrometry (MS)
- infrared absorption spectroscopy (IR)
- distortionless enhancement with polarization transfer (DEPT)
- correlation spectroscopy (COSY)
- heteronuclear multiple bond coherence (HMBC)
- 19F nuclear magnetic resonance spectroscopy (19F NMR)
-
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[(4-fluorophenyl)methyl]-N-[2... Molecule
InChIKey DEZVLIBBNLEFNZ-UHFFFAOYSA-N Molecular Formula C29H15F16NO
Related Dataset(s)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- infrared absorption spectroscopy (IR)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- correlation spectroscopy (COSY)
- 19F nuclear magnetic resonance spectroscopy (19F NMR)
- mass spectrometry (MS)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
-
2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenant... Molecule
InChIKey UACIBCPNAKBWHX-UHFFFAOYSA-N Molecular Formula C17H28
Related Dataset(s)
- Classics_Brazilein[3]
- Classics_Hesperidin[3]
- Classics_Brazilein[5]
- Classics_Indigo[6]
- Classics_Cnicin[4]
- Classics_a-Glucoseamine[4]
- Classics_b-Glucoseamine[7]
- Classics_a-Glucoseamine[1]
- Classics_Indigo[3]
- Classics_Indigo[4]
- Classics_Cnicin[2]
- Classics_Hesperidin[5]
- Classics_a-Glucoseamine[5]
- Classics_b-Glucoseamine[4]
- Classics_Galanthamine[4]
- Classics_a-Glucoseamine[2]
- Classics_b-Glucoseamine[6]
- Classics_b-Glucoseamine[5]
- Classics_Chamazulene_DB[1]
- Classics_Galanthamine[6]
- Classics_Brazilein[1]
- Classics_Brazilein[4]
- Classics_Capsanthin_DB[6]
- Classics_Chamazulene_DB[5]
- Classics_Capsanthin_DB[2]
- Classics_Cnicin[3]
- Classics_Chamazulene_DB[6]
- Classics_Cnicin[5]
- Classics_Hesperidin[2]
- Classics_Hesperidin[6]
- Classics_b-Glucoseamine[3]
- Classics_Capsanthin_DB[5]
- Classics_Hesperidin.noesy
- Classics_Chamazulene_DB[4]
- Classics_Brazilein[2]
- Classics_Chamazulene_DB[3]
- Classics_Brazilein[6]
- Classics_a-Glucoseamine[8]
- Classics_b-Glucoseamine[1]
- Classics_Indigo[5]
- Classics_Indigo[2]
- Classics_Chamazulene_DB[2]
- Classics_Galanthamine[3]
- Classics_Galanthamine[1]
- Classics_Capsanthin_DB[1]
- Classics_Capsanthin_DB[4]
- Classics_b-Glucoseamine[2]
- Classics_a-Glucoseamine[6]
- Classics_Cnicin[1]
- Classics_Galanthamine[5]
- Classics_Capsanthin_DB[3]
- Classics_Chamazulene_DB[7]
- Classics_Hesperidin[1]
- Classics_a-Glucoseamine.cosy
- Classics_Cnicin[6]
- Classics_Indigo[1]
- Classics_Galanthamine[2]
-
2,4,5,6-tetra(carbazol-9-yl)benzene-1,3-dicarbonitrile Molecule
InChIKey PRWATGACIORDEL-UHFFFAOYSA-N Molecular Formula C56H32N6
Related Dataset(s)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear multiple bond coherence (HMBC)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- heteronuclear single quantum coherence (HSQC)
- infrared absorption spectroscopy (IR)
- ultraviolet-visible spectrophotometry (UV-VIS)
- mass spectrometry (MS)
- infrared absorption spectroscopy (IR)
- correlation spectroscopy (COSY)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
-
2,4,6-trimethylaniline Molecule
InChIKey KWVPRPSXBZNOHS-UHFFFAOYSA-N Molecular Formula C9H13N
Related Dataset(s)
- heteronuclear multiple bond coherence (HMBC)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear single quantum coherence (HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- 2,4,6-TRIMETHYLANILINE; EI-B; MS
- correlation spectroscopy (COSY)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
-
2,4,6-trimethylbenzaldehyde Molecule
InChIKey HIKRJHFHGKZKRI-UHFFFAOYSA-N Molecular Formula C10H12O
Related Dataset(s)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear multiple bond coherence (HMBC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- MESITYLALDEHYDE; EI-B; MS
- heteronuclear single quantum coherence (HSQC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- correlation spectroscopy (COSY)
- distortionless enhancement with polarization transfer (DEPT)
-
2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide Molecule
InChIKey SNPLKNRPJHDVJA-UHFFFAOYSA-N Molecular Formula C9H19NO4
Related Dataset(s)
- Dexpanthenol; LC-ESI-QTOF; MS2; 80 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 150 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 20 V
- Panthenol; LC-ESI-QTOF; MS; POSITIVE
- Dexpanthenol; LC-ESI-QTOF; MS2; 110 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 140 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 40 V
- 16485-10-2[hn-hsqc.dx]
- 16485-10-2[apt.dx]
- Dexpanthenol; LC-ESI-QTOF; MS2; 150 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 70 V
- Panthenol; LC-APCI-QTOF; MS; POSITIVE
- 16485-10-2[1dnoe-7-74.dx]
- 16485-10-2[cosy.dx]
- 16485-10-2[1dnoe-3-70.dx]
- Panthenol; LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
- 16485-10-2[13c.dx]
- 16485-10-2[hmbc.dx]
- Dexpanthenol; LC-ESI-QTOF; MS2; 110 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 30 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 60 V
- Panthenol; LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
- Dexpanthenol; LC-ESI-QTOF; MS2; 90 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 60 V
- Panthenol; LC-APCI-QTOF; MS; NEGATIVE
- Panthenol; LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
- Dexpanthenol; LC-ESI-QTOF; MS2; 30 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 10 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 40 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 80 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 40 V
- Panthenol; LC-ESI-QTOF; MS; NEGATIVE
- Dexpanthenol; LC-ESI-QTOF; MS2; 100 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 140 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 100 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 40 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 130 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 120 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 50 V
- 16485-10-2[1h.dx]
- 16485-10-2[hmqc.dx]
- 16485-10-2[dept135.dx]
- Dexpanthenol; LC-ESI-QTOF; MS2; 10 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 130 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 70 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 90 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 120 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 50 V
-
2,6,6-trimethylbicyclo[3.1.1]hept-2-ene Molecule
InChIKey GRWFGVWFFZKLTI-UHFFFAOYSA-N Molecular Formula C10H16
Related Dataset(s)
- (-)-alpha-Pinene 60/400/600/900 MHz in CDCl3 NMR data[AlphaPinene_100000ug700uL_CDCl3_1HNMR_900MHz_Bruker.jdx]
- ALPHA-PINENE; EI-B; MS
- (-)-alpha-Pinene 60/400/600/900 MHz in CDCl3 NMR data[AlphaPinene_100000ug700uL_CDCl3_HSQC_600MHz_JDX.jdx]
- ALPHA-PINENE; EI-B; MS
- (-)-alpha-Pinene 60/400/600/900 MHz in CDCl3 NMR data[AlphaPinene_100000ug700uL_CDCl3_COSY_400MHz_JDX.jdx]
- (-)-alpha-Pinene 60/400/600/900 MHz in CDCl3 NMR data[AlphaPinene_100000ug700uL_CDCl3_13CNMR_600MHz_JDX.jdx]
- (-)-alpha-Pinene 60/400/600/900 MHz in CDCl3 NMR data[AlphaPinene_100000ug700uL_CDCl3_COSY_400MHz_Jeol.jdf]
- (-)-alpha-Pinene 60/400/600/900 MHz in CDCl3 NMR data[AlphaPinene_100000ug700uL_CDCl3_1HNMR_600MHz_JDX.jdx]
- (-)-alpha-Pinene 60/400/600/900 MHz in CDCl3 NMR data[AlphaPinene_100000ug700uL_CDCl3_COSY_900MHz_Bruker.jdx]
- (-)-alpha-Pinene 60/400/600/900 MHz in CDCl3 NMR data[AlphaPinene_100000ug700uL_CDCl3_1HNMR_400MHz_JDX.jdx]
- (-)-alpha-Pinene 60/400/600/900 MHz in CDCl3 NMR data[AlphaPinene_100000ug700uL_CDCl3_HMBC_600MHz_JDX.jdx]
- (1R,5R)-2,6,6-Trimethylbicyclo(3.1.1)hept-2-ene, (1R,5R)-2-Pinene, (1R)-Pin-2-ene, (1R)-(+)-alpha-Pinene; LC-ESI-QQ; MS2
- (-)-alpha-Pinene 60/400/600/900 MHz in CDCl3 NMR data[AlphaPinene_100000ug700uL_CDCl3_1HNMR_400MHz_Jeol.jdf]
- (-)-alpha-Pinene 60/400/600/900 MHz in CDCl3 NMR data[AlphaPinene_100000ug700uL_CDCl3_1HNMR_60MHz_JDX.jdx]
-
2,6-bis(6-bromopyridin-2-yl)pyridine Molecule
InChIKey PYMBATDYUCQLBC-UHFFFAOYSA-N Molecular Formula C15H9Br2N3
Related Dataset(s)
- heteronuclear multiple bond coherence (HMBC)
- correlation spectroscopy (COSY)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear single quantum coherence (HSQC)
-
2,6-bis(bromomethyl)pyridine Molecule
InChIKey QUTSYCOAZVHGGT-UHFFFAOYSA-N Molecular Formula C7H7Br2N
Related Dataset(s)
- heteronuclear multiple bond coherence (HMBC)
- heteronuclear single quantum coherence (HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
- correlation spectroscopy (COSY)
- correlation spectroscopy (COSY)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear multiple bond coherence (HMBC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- heteronuclear single quantum coherence (HSQC)
-
2,6-dibromo-4-methylpyridine Molecule
InChIKey OHBIPNNTWKNAGC-UHFFFAOYSA-N Molecular Formula C6H5Br2N
Related Dataset(s)
- correlation spectroscopy (COSY)
- heteronuclear multiple bond coherence (HMBC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear single quantum coherence (HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
-
2,6-dibromo-4-nitropyridine Molecule
InChIKey XIPATZUHJFQGQC-UHFFFAOYSA-N Molecular Formula C5H2Br2N2O2
Related Dataset(s)
- heteronuclear single quantum coherence (HSQC)
- heteronuclear multiple bond coherence (HMBC)
- distortionless enhancement with polarization transfer (DEPT)
- correlation spectroscopy (COSY)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
-
2,6-dibromopyridine Molecule
InChIKey FEYDZHNIIMENOB-UHFFFAOYSA-N Molecular Formula C5H3Br2N
Related Dataset(s)
- heteronuclear single quantum coherence (HSQC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- heteronuclear multiple bond coherence (HMBC)
- distortionless enhancement with polarization transfer (DEPT)
- correlation spectroscopy (COSY)
-
2,6-dimethoxybenzaldehyde Molecule
InChIKey WXSGQHKHUYTJNB-UHFFFAOYSA-N Molecular Formula C9H10O3
Related Dataset(s)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- heteronuclear single quantum coherence (HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- correlation spectroscopy (COSY)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- heteronuclear multiple bond coherence (HMBC)
-
2,6-dimethylbenzaldehyde Molecule
InChIKey QOJQBWSZHCKOLL-UHFFFAOYSA-N Molecular Formula C9H10O
Related Dataset(s)
- heteronuclear multiple bond coherence (HMBC)
- correlation spectroscopy (COSY)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear single quantum coherence (HSQC)
