-
4,5-dihydroxynaphthalene-2,7-disulfonic acid Molecule
InChIKey HLVXFWDLRHCZEI-UHFFFAOYSA-N Molecular Formula C10H8O8S2
Related Dataset(s)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- heteronuclear single quantum coherence (HSQC)
- correlation spectroscopy (COSY)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear multiple bond coherence (HMBC)
-
4,6-dimethyl-2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaeny... Molecule
InChIKey FYOAVCBBJZGVET-UHFFFAOYSA-N Molecular Formula C26H25N
Related Dataset(s)
- infrared absorption spectroscopy (IR)
- fast-atom bombardment mass spectrometry (FABMS)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear single quantum coherence (HSQC)
- correlation spectroscopy (COSY)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
-
4-(2,5-difluorophenyl)-N,N-bis[4-(2,5-difluorophenyl)phenyl]aniline Molecule
InChIKey YUVGKANYCTZHML-UHFFFAOYSA-N Molecular Formula C36H21F6N
Related Dataset(s)
-
4-(3-azido-5-methylpyrazol-1-yl)benzonitrile Molecule
InChIKey KIQBPEXSAZKVRR-UHFFFAOYSA-N Molecular Formula C11H8N6
Related Dataset(s)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- mass spectrometry (MS)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- heteronuclear multiple bond coherence (HMBC)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- infrared absorption spectroscopy (IR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- heteronuclear single quantum coherence (HSQC)
- 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)
- distortionless enhancement with polarization transfer (DEPT)
- mass spectrometry (MS)
- distortionless enhancement with polarization transfer (DEPT)
-
4-(3-chlorodiazirin-3-yl)pyridine Molecule
InChIKey OUJXCGRKTFGYJS-UHFFFAOYSA-N Molecular Formula C6H4ClN3
Related Dataset(s)
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear single quantum coherence (HSQC)
- correlation spectroscopy (COSY)
- infrared absorption spectroscopy (IR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- electrospray ionisation quadrupole detection (ESI Q Trap)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
-
4-(4-bromophenyl)-2,6-dipyridin-2-ylpyridine Molecule
InChIKey BOPPHKMZOYPASP-UHFFFAOYSA-N Molecular Formula C21H14BrN3
Related Dataset(s)
- heteronuclear multiple bond coherence (HMBC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- correlation spectroscopy (COSY)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- heteronuclear single quantum coherence (HSQC)
- distortionless enhancement with polarization transfer (DEPT)
-
4-(4-chlorophenyl)-2,6-dipyridin-2-ylpyridine Molecule
InChIKey UPOMZZQMFGCHGB-UHFFFAOYSA-N Molecular Formula C21H14ClN3
Related Dataset(s)
- heteronuclear single quantum coherence (HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- correlation spectroscopy (COSY)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- heteronuclear multiple bond coherence (HMBC)
- distortionless enhancement with polarization transfer (DEPT)
-
4-(4-methoxyphenoxy)aniline Molecule
InChIKey VTYZDTAGEMAJMM-UHFFFAOYSA-N Molecular Formula C13H13NO2
Related Dataset(s)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- heteronuclear single quantum coherence (HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
-
4-(4-methoxyphenyl)-1-(1H-pyrazol-5-yl)triazole Molecule
InChIKey PQOYNAQPLQYWLU-UHFFFAOYSA-N Molecular Formula C12H11N5O
Related Dataset(s)
- mass spectrometry (MS)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear multiple bond coherence (HMBC)
- heteronuclear single quantum coherence (HSQC)
- infrared absorption spectroscopy (IR)
- distortionless enhancement with polarization transfer (DEPT)
-
4-(4-methoxyphenyl)-1-(5-methyl-1H-pyrazol-3-yl)triazole Molecule
InChIKey WNRIJNCEJHFAPB-UHFFFAOYSA-N Molecular Formula C13H13N5O
Related Dataset(s)
- heteronuclear single quantum coherence (HSQC)
- heteronuclear multiple bond coherence (HMBC)
- mass spectrometry (MS)
- infrared absorption spectroscopy (IR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
-
4-(4-methoxyphenyl)-1-[5-methyl-1-(4-nitrophenyl)pyrazol-3-yl]triazole Molecule
InChIKey IZEQOYLPBRFYRC-UHFFFAOYSA-N Molecular Formula C19H16N6O3
Related Dataset(s)
- heteronuclear multiple bond coherence (HMBC)
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
- infrared absorption spectroscopy (IR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- heteronuclear single quantum coherence (HSQC)
- mass spectrometry (MS)
-
4-(trifluoromethyl)benzenesulfonyl chloride Molecule
InChIKey OZDCZHDOIBUGAJ-UHFFFAOYSA-N Molecular Formula C7H4ClF3O2S
Related Dataset(s)
- distortionless enhancement with polarization transfer (DEPT)
- correlation spectroscopy (COSY)
- heteronuclear single quantum coherence (HSQC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- heteronuclear multiple bond coherence (HMBC)
- 19F nuclear magnetic resonance spectroscopy (19F NMR)
-
4-(trifluoromethyl)benzoyl chloride Molecule
InChIKey OXZYBOLWRXENKT-UHFFFAOYSA-N Molecular Formula C8H4ClF3O
Related Dataset(s)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 19F nuclear magnetic resonance spectroscopy (19F NMR)
- correlation spectroscopy (COSY)
- heteronuclear multiple bond coherence (HMBC)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear single quantum coherence (HSQC)
-
4-[(2E)-3,7-dimethylocta-2,6-dienoxy]furo[3,2-g]chromen-7-one Molecule
InChIKey DBMJZOMNXBSRED-OQLLNIDSSA-N
Related Dataset(s)
- SI_Outreach_4_2F_B_2nd_column_lime_05312024_FULL[3]
- SI_Outreach_4_2D_column_lime_05302024[2]
- SI_Outreach_4_2F_B_2nd_column_lime_05312024_FULL[5]
- SI_Outreach_4_2F_B_2nd_column_lime_05312024_FULL[2]
- SI_Outreach_4_2D_1st_column_lime_extract_06012024_FULL[2]
- BERGAMOTTIN_FULL_NMR_THIX-029C2_2nd_col_4_1_Hex_EA_lime_peels_extract_06082024[6]
- SI_Outreach_4_2F_column_lime_05302024.1d
- SI_Outreach_4_2D_1st_column_lime_extract_06012024_FULL[7]
- BERGAMOTTIN_FULL_NMR_THIX-029C2_2nd_col_4_1_Hex_EA_lime_peels_extract_06082024.1d
- SI_Outreach_4_2D_1st_column_lime_extract_06012024_FULL[6]
- SI_Outreach_4_2F_B_2nd_column_lime_05312024[1]
- SI_Outreach_4_2D_1st_column_lime_extract_06012024_FULL[5]
- SI_Outreach_5_1A_grapefruit_meat_05_31_2024[1]
- SI_Outreach_4_2D_1st_column_lime_extract_06012024_FULL[4]
- SI_Outreach_4_2F_B_2nd_column_lime_05312024_FULL[1]
- SI_Outreach_4_2D_column_lime_05302024.hsqc
- BERGAMOTTIN_FULL_NMR_THIX-029C2_2nd_col_4_1_Hex_EA_lime_peels_extract_06082024.cosy
- SI_Outreach_4_2F_B_2nd_column_lime_05312024_FULL[6]
- SI_Outreach_4_2D_1st_column_lime_extract_06012024_FULL[3]
- SI_Outreach_4_2D_column_lime_05302024[1]
- SI_Outreach_4_2F_B_2nd_column_lime_05312024_FULL[4]
- SI_Outreach_4_2D_column_lime_05302024[6]
- SI_Outreach_4_4A_graprefruit_peels_05312024[1]
- BERGAMOTTIN_FULL_NMR_THIX-029C2_2nd_col_4_1_Hex_EA_lime_peels_extract_06082024[5]
- SI_Outreach_4_2D_column_lime_05302024.hmbc
- SI_Outreach_4_2D_column_lime_05302024.cosy
- BERGAMOTTIN_FULL_NMR_THIX-029C2_2nd_col_4_1_Hex_EA_lime_peels_extract_06082024[4]
-
4-[(E)-2-hydroxy-16-(2-hydroxy-3-methyl-5-oxo-2H-furan-4-yl)-5-methyl-4,16-di... Molecule
InChIKey SYADJZZKJSIWKK-PKNBQFBNSA-N Molecular Formula C27H39NO8
Related Dataset(s)
-
4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol Molecule
InChIKey RGLYKWWBQGJZGM-ISLYRVAYSA-N Molecular Formula C18H20O2
Related Dataset(s)
- Diethylstilbestrol; LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- correlation spectroscopy (COSY)
- distortionless enhancement with polarization transfer (DEPT)
- Diethylstilbestrol; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
- Diethylstilbestrol; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
- distortionless enhancement with polarization transfer (DEPT)
- Diethylstilbestrol; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
- Diethylstilbestrol; LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
- Diethylstilbestrol; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
- heteronuclear single quantum coherence (HSQC)
- heteronuclear multiple bond coherence (HMBC)
- Diethylstilbestrol; LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
- Diethylstilbestrol; LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
-
4-[3,5-bis(4-carboxyphenyl)-2,4,6-triformylphenyl]benzoic acid Molecule
InChIKey OCNLXLJLHXKFPZ-UHFFFAOYSA-N Molecular Formula C30H18O9
Related Dataset(s)
- infrared absorption spectroscopy (IR)
- mass spectrometry (MS)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- heteronuclear single quantum coherence (HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear multiple bond coherence (HMBC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
-
4-[3-(4-butyltriazol-1-yl)-5-methylpyrazol-1-yl]benzonitrile Molecule
InChIKey WZTARLNNZGQBDW-UHFFFAOYSA-N Molecular Formula C17H18N6
Related Dataset(s)
- correlation spectroscopy (COSY)
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
- infrared absorption spectroscopy (IR)
- heteronuclear single quantum coherence (HSQC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- heteronuclear multiple bond coherence (HMBC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- mass spectrometry (MS)
-
4-[3-[4-[(1,3-dioxoisoindol-2-yl)methyl]triazol-1-yl]-5-methylpyrazol-1-yl]be... Molecule
InChIKey DWYBPGPEFGKMQS-UHFFFAOYSA-N Molecular Formula C22H15N7O2
Related Dataset(s)
- infrared absorption spectroscopy (IR)
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
- mass spectrometry (MS)
- heteronuclear single quantum coherence (HSQC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- heteronuclear multiple bond coherence (HMBC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
-
4-[5-methyl-3-(4-phenyltriazol-1-yl)pyrazol-1-yl]benzonitrile Molecule
InChIKey QJHTUPAVPUUSNY-UHFFFAOYSA-N Molecular Formula C19H14N6
Related Dataset(s)
- heteronuclear multiple bond coherence (HMBC)
- correlation spectroscopy (COSY)
- distortionless enhancement with polarization transfer (DEPT)
- mass spectrometry (MS)
- correlation spectroscopy (COSY)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- correlation spectroscopy (COSY)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- heteronuclear single quantum coherence (HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear single quantum coherence (HSQC)
- heteronuclear single quantum coherence (HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- infrared absorption spectroscopy (IR)
- heteronuclear multiple bond coherence (HMBC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear multiple bond coherence (HMBC)
- infrared absorption spectroscopy (IR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- mass spectrometry (MS)
