-
5-pentylbenzene-1,3-diol Molecule
InChIKey IRMPFYJSHJGOPE-UHFFFAOYSA-N Molecular Formula C11H16O2
Related Dataset(s)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- correlation spectroscopy (COSY)
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
-
6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane Molecule
InChIKey WTARULDDTDQWMU-UHFFFAOYSA-N Molecular Formula C10H16
Related Dataset(s)
- (-)-beta-Pinene 60/400/900 MHz in CDCl3 NMR data[BetaPinene_6782ug200uL_CDCl3_HSQC_400MHz_Jeol.jdf]
- (-)-beta-Pinene 60/400/900 MHz in CDCl3 NMR data[BetaPinene_6782ug200uL_CDCl3_13C_400MHz_Jeol.jdf]
- (-)-beta-Pinene 60/400/900 MHz in CDCl3 NMR data[BetaPinene_6782ug200uL_CDCl3_1H_400MHz_JDX.jdx]
- BETA-PINENE; EI-B; MS
- (-)-beta-Pinene 60/400/900 MHz in CDCl3 NMR data[BetaPinene_6782ug200uL_CDCl3_HMBC_400MHz_JDX.jdx]
- beta-Pinene; GC-APCI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
- BETA-PINENE; EI-B; MS
- (-)-beta-Pinene 60/400/900 MHz in CDCl3 NMR data[BetaPinene_100000ug700uL_CDCl3_COSY_400MHz_Jeol.jdf]
- (-)-beta-Pinene 60/400/900 MHz in CDCl3 NMR data[BetaPinene_6782ug200uL_CDCl3_13C_400MHz_JDX.jdx]
- (-)-beta-Pinene 60/400/900 MHz in CDCl3 NMR data[BetaPinene_6782ug200uL_CDCl3_1H_400MHz_Jeol.jdf]
- (-)-beta-Pinene 60/400/900 MHz in CDCl3 NMR data[BetaPinene_6782ug200uL_CDCl3_HSQC_400MHz_JDX.jdx]
- BETA-PINENE; EI-B; MS
- (-)-beta-Pinene 60/400/900 MHz in CDCl3 NMR data[BetaPinene_100000ug700uL_CDCl3_COSY_900MHz_JDX.jdx]
- (-)-beta-Pinene 60/400/900 MHz in CDCl3 NMR data[BetaPinene_100000ug700uL_CDCl3_COSY_400MHz_JDX.jdx]
- (-)-beta-Pinene 60/400/900 MHz in CDCl3 NMR data[BetaPinene_6782ug200uL_CDCl3_HMBC_400MHz_Jeol.jdf]
- beta-Pinene; GC-APCI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
- (-)-beta-Pinene 60/400/900 MHz in CDCl3 NMR data[BetaPinene_100000ug700uL_CDCl3_1HNMR_60MHz_JDX.jdx]
- (-)-beta-Pinene 60/400/900 MHz in CDCl3 NMR data[BetaPinene_100000ug700uL_CDCl3_1HNMR_900MHz_JDX.jdx]
-
6-(hydroxymethyl)oxane-2,3,4,5-tetrol Molecule
InChIKey WQZGKKKJIJFFOK-UHFFFAOYSA-N Molecular Formula C6H12O6
Related Dataset(s)
- Isobar: glucose,fructose,mannose,galactose; LC-ESI-IT; MS2; m/z: 179.2; [M-H]-
- 492-62-6[1h.fid.dx]
- 492-62-6[hmbc.ser.dx]
- 492-62-6[13c.fid.dx]
- SI_Outreach_2_3_glucose_standard_D2O_05312024[1]
- 492-62-6[noesy.dx]
- 492-62-6[cosy.ser.dx]
- 492-62-6[1h.dx]
- 492-62-6[noesy.ser.dx]
- 492-62-6[hsqced.dx]
- Outreach_2_3_glucose_standard_D2O_05312024[1]
- D-(+)-Galactose, Gal, Brain sugar, Cerebrose, D-Galactopyranose; LC-ESI-QQ; MS2
- 492-62-6[13c.dx]
- 492-62-6[hmbc.dx]
- 492-62-6[hsqced.ser.dx]
- D-Mannopyranose, D-Seminose, D-(+)-Mannose,from wood, Man, Carubinose; LC-ESI-QQ; MS2
- beta-D-Glucopyranose, beta-D(+)Glucose, beta-Glc; LC-ESI-QQ; MS2
- 492-62-6[cosy.dx]
-
6-amino-5-chloropyridine-3-carbonitrile Molecule
InChIKey XDDIMILABMXHFG-UHFFFAOYSA-N Molecular Formula C6H4ClN3
Related Dataset(s)
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- correlation spectroscopy (COSY)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- heteronuclear single quantum coherence (HSQC)
- heteronuclear multiple bond coherence (HMBC)
-
6-bromo-3,10-dithiatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaene Molecule
InChIKey WFGUMAMXHLAEPG-UHFFFAOYSA-N Molecular Formula C16H15BrS2
Related Dataset(s)
- heteronuclear single quantum coherence (HSQC)
- infrared absorption spectroscopy (IR)
- 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)
- electron ionisation mass spectrometry (EI-MS)
-
6-bromonaphthalene-2-carboxylic acid Molecule
InChIKey NPMCAVBMOTZUPD-UHFFFAOYSA-N Molecular Formula C11H7BrO2
Related Dataset(s)
- heteronuclear single quantum coherence (HSQC)
- heteronuclear multiple bond coherence (HMBC)
- correlation spectroscopy (COSY)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
-
6-butyl-3-(4-chlorophenyl)-2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14)... Molecule
InChIKey SYISJNATSQWOEV-UHFFFAOYSA-N Molecular Formula C35H32ClN
Related Dataset(s)
- fast-atom bombardment mass spectrometry (FABMS)
- distortionless enhancement with polarization transfer (DEPT)
- correlation spectroscopy (COSY)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- infrared absorption spectroscopy (IR)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear single quantum coherence (HSQC)
-
6-butyl-3-(4-fluorophenyl)-2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14)... Molecule
InChIKey APEDENUOVLTMQW-UHFFFAOYSA-N Molecular Formula C35H32FN
Related Dataset(s)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear single quantum coherence (HSQC)
- 19F nuclear magnetic resonance spectroscopy (19F NMR)
- fast-atom bombardment mass spectrometry (FABMS)
- infrared absorption spectroscopy (IR)
- correlation spectroscopy (COSY)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
-
6-butyl-3-(4-nitrophenyl)-2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),... Molecule
InChIKey BPUIYRKZJGNMFY-UHFFFAOYSA-N Molecular Formula C35H32N2O2
Related Dataset(s)
- correlation spectroscopy (COSY)
- heteronuclear single quantum coherence (HSQC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- fast-atom bombardment mass spectrometry (FABMS)
- infrared absorption spectroscopy (IR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
-
6-methoxy-3-phenyl-2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-h... Molecule
InChIKey VTBRCGKGKFRWJI-UHFFFAOYSA-N Molecular Formula C32H27NO
Related Dataset(s)
- electron ionisation mass spectrometry (EI-MS)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- heteronuclear single quantum coherence (HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- correlation spectroscopy (COSY)
- distortionless enhancement with polarization transfer (DEPT)
- infrared absorption spectroscopy (IR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
-
6-methyl-2-phenylimidazo[1,2-a]pyridine Molecule
InChIKey GYOZQHDHGJDZIQ-UHFFFAOYSA-N Molecular Formula C14H12N2
Related Dataset(s)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- heteronuclear multiple bond coherence (HMBC)
- mass spectrometry (MS)
- infrared absorption spectroscopy (IR)
- heteronuclear single quantum coherence (HSQC)
- correlation spectroscopy (COSY)
- distortionless enhancement with polarization transfer (DEPT)
-
6-pentylpyran-2-one Molecule
InChIKey MAUFTTLGOUBZNA-UHFFFAOYSA-N Molecular Formula C10H14O2
Related Dataset(s)
- 6-Pentyl-2H-pyran-2-one; LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
- MC047_9[3]
- MC047_9[1]
- MC047_9[6]
- MC047_9[2]
- MC047_9[7]
- 6-PENTYL-ALPHA-PYRONE; EI-B; MS
- 6-Pentyl-2H-pyran-2-one; LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
- 6-PENTYL-2-PYRONE; EI-B; MS
- MC047_9[5]
- 6-Pentyl-2H-pyran-2-one; LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
- 6-Pentyl-2H-pyran-2-one; LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
- 6-Pentyl-2H-pyran-2-one; LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
- 6-Pentyl-2H-pyran-2-one; LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
-
6-propyl-2,3,4,5-tetrahydropyridine Molecule
InChIKey PQSOVRNZJIENNW-UHFFFAOYSA-N Molecular Formula C8H15N
Related Dataset(s)
-
7'-chloro-4'-hydroxy-6'-methyl-3,3'-dioxospiro[1-benzofuran-2,1'-2-benzofuran... Molecule
InChIKey XBSPICXSAXOFOV-UHFFFAOYSA-N Molecular Formula C17H9ClO7
Related Dataset(s)
-
7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one Molecule
InChIKey ANJTVLIZGCUXLD-UHFFFAOYSA-N Molecular Formula C11H14N2O
Related Dataset(s)
- 485-35-8[13c.fid.dx]
- 485-35-8[cosy.ser.dx]
- 485-35-8[dept135.dx]
- 485-35-8[cosy.dx]
- 485-35-8[hmbc.ser.dx]
- 485-35-8.noesy
- 485-35-8[hnHMQC.ser.dx]
- 485-35-8[hsqc.ser.dx]
- 485-35-8.hsqc
- 485-35-8[dept45.dx]
- 485-35-8[deptq.fid.dx]
- 485-35-8.hmbc
- 485-35-8.deptq
- 485-35-8[hnHMQC.dx]
- 485-35-8[noesy.ser.dx]
- 485-35-8[1h.dx]
- 485-35-8[dept90.fid.dx]
- 485-35-8[13c.dx]
- 485-35-8[dept45.fid.dx]
- 485-35-8[1h.fid.dx]
- 485-35-8[dept135.fid.dx]
- 485-35-8.dept
-
7-(8-formyl-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)-2,3,8-tri... Molecule
InChIKey QBKSWRVVCFFDOT-UHFFFAOYSA-N Molecular Formula C30H30O8
Related Dataset(s)
- Gossypol 600 MHz CDCl3 DMSOd6 NMR data[Gossypol_3650ug200uL_DMSOd6_1HNMR_600MHz_JDX.jdx]
- Gossypol 600 MHz CDCl3 DMSOd6 NMR data[Gossypol_3650ug200uL_DMSOd6_13CNMR_600MHz_JDX.jdx]
- Gossypol 600 MHz CDCl3 DMSOd6 NMR data[Gossypol_3650ug200uL_CDCl3_13CNMR_600MHz_JDX]
- Gossypol 600 MHz CDCl3 DMSOd6 NMR data[Gossypol_GOOS01_HSQC_3650ug200uL_DMSOd6_600MHz_skim592]
- Gossypol 600 MHz CDCl3 DMSOd6 NMR data[Gossypol_GOOS01_13CMR_3650ug200uL_DMSOd6_600MHz_skim592]
- Gossypol 600 MHz CDCl3 DMSOd6 NMR data[Gossypol_3650ug200uL_DMSOd6_HMBC_600MHz_JDX.jdx]
- Gossypol 600 MHz CDCl3 DMSOd6 NMR data[Gossypol_3650ug200uL_CDCl3_COSY_600MHz_JDX.jdx]
- Gossypol 600 MHz CDCl3 DMSOd6 NMR data[Gossypol_GOOS01_1HNMR_3650ug200uL_DMSOd6_600MHz_skim592]
- Gossypol 600 MHz CDCl3 DMSOd6 NMR data[Gossypol_3650ug200uL_CDCl3_1HNMR_600MHz_Bruker]
- Gossypol 600 MHz CDCl3 DMSOd6 NMR data[Gossypol_3650ug200uL_CDCl3_COSY_600MHz_JDX]
- Gossypol 600 MHz CDCl3 DMSOd6 NMR data[Gossypol_3650ug200uL_CDCl3_HSQC_600MHz_JDX.jdx]
- Gossypol 600 MHz CDCl3 DMSOd6 NMR data[Gossypol_3650ug200uL_CDCl3_HMBC_600MHz_JDX.jdx]
- Gossypol 600 MHz CDCl3 DMSOd6 NMR data[Gossypol_GOOS01_HMBC_3650ug200uL_DMSOd6_600MHz_skim592]
- Gossypol 600 MHz CDCl3 DMSOd6 NMR data[Gossypol_GOOS01_COSY_3650ug200uL_DMSOd6_600MHz_skim592]
- Gossypol 600 MHz CDCl3 DMSOd6 NMR data[Gossypol_3650ug200uL_CDCl3_1HNMR_600MHz_JDX.jdx]
- Gossypol 600 MHz CDCl3 DMSOd6 NMR data[Gossypol_3650ug200uL_CDCl3_HMBC_600MHz_JDX]
- Gossypol 600 MHz CDCl3 DMSOd6 NMR data[Gossypol_3650ug200uL_CDCl3_HSQC_600MHz_JDX]
- Gossypol 600 MHz CDCl3 DMSOd6 NMR data[Gossypol_3650ug200uL_CDCl3_13CNMR_600MHz_JDX.jdx]
- Gossypol 600 MHz CDCl3 DMSOd6 NMR data[Gossypol_3650ug200uL_DMSOd6_COSY_600MHz_JDX.jdx]
- Gossypol 600 MHz CDCl3 DMSOd6 NMR data[Gossypol_3650ug200uL_DMSOd6_HSQC_600MHz_JDX.jdx]
-
7-(diaminomethylideneamino)-4-[[3-(4-hydroxyphenyl)-2-(oct-2-enoylamino)propa... Molecule
InChIKey ANGGSYAIWRWBFA-UHFFFAOYSA-N Molecular Formula C25H37N5O5
Related Dataset(s)
-
7-(diethylamino)-3-[7-(diethylamino)-2-oxochromene-3-carbonyl]chromen-2-one Molecule
InChIKey SANIRTQDABNCHF-UHFFFAOYSA-N Molecular Formula C27H28N2O5
Related Dataset(s)
- 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)
- infrared absorption spectroscopy (IR)
- heteronuclear single quantum coherence (HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- mass spectrometry (MS)
-
7-ethyl-1,4-dimethylazulene Molecule
InChIKey GXGJIOMUZAGVEH-UHFFFAOYSA-N Molecular Formula C14H16
Related Dataset(s)
-
7-hydroxy-2-methyl-2H-chromene-3-carbaldehyde Molecule
InChIKey USJQBBWAVFLWBI-UHFFFAOYSA-N Molecular Formula C11H10O3
Related Dataset(s)
- infrared absorption spectroscopy (IR)
- heteronuclear multiple bond coherence (HMBC)
- distortionless enhancement with polarization transfer (DEPT)
- mass spectrometry (MS)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- heteronuclear single quantum coherence (HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- correlation spectroscopy (COSY)
