-
7-hydroxy-6-methoxy-8-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxa... Molecule
InChIKey CRSFLLTWRCYNNX-BKQKJWSFSA-N Molecular Formula C16H18O10
Related Dataset(s)
-
7-methyl-3-methylideneocta-1,6-diene Molecule
InChIKey UAHWPYUMFXYFJY-UHFFFAOYSA-N Molecular Formula C10H16
Related Dataset(s)
- Myrcene 60/400/900 MHz in CDCl3 NMR data[Myrcene_100000ug700uL_CDCl3_COSY_400MHz_JDX.jdx]
- MYRCENE; EI-B; MS
- Myrcene 60/400/900 MHz in CDCl3 NMR data[Myrcene_100000ug700uL_CDCl3_1H_400MHz_JDX.jdx]
- Myrcene 60/400/900 MHz in CDCl3 NMR data[Myrcene_100000ug700uL_CDCl3_1HNMR_900MHz_JDX.jdx]
- Myrcene 60/400/900 MHz in CDCl3 NMR data[Myrcene_100000ug700uL_CDCl3_1H_400MHz_Jeol.jdf]
- BETA-MYRCENE; EI-B; MS
- Myrcene 60/400/900 MHz in CDCl3 NMR data[Mycene_3120ug200uL_CDCl3_HSQC_400MHz_JDX.jdx]
- Myrcene 60/400/900 MHz in CDCl3 NMR data[Mycene_3120ug200uL_CDCl3_HMBC_400MHz_JDX.jdx]
- Myrcene 60/400/900 MHz in CDCl3 NMR data[Myrcene_100000ug700uL_CDCl3_COSY_900MHz_JDX.jdx]
- Myrcene 60/400/900 MHz in CDCl3 NMR data[Myrcene_100000ug700uL_CDCl3_COSY_400MHz_Jeol.jdf]
- Myrcene 60/400/900 MHz in CDCl3 NMR data[Mycene_3120ug200uL_CDCl3_13C_400MHz_Jeol.jdf]
- Myrcene 60/400/900 MHz in CDCl3 NMR data[Mycene_3120ug200uL_CDCl3_HSQC_400MHz_Jeol.jdf]
- Myrcene 60/400/900 MHz in CDCl3 NMR data[Mycene_3120ug200uL_CDCl3_13C_400MHz_JDX.jdx]
- Myrcene 60/400/900 MHz in CDCl3 NMR data[Myrcene_100000ug700uL_CDCl3_1HNMR_60MHz_JDX.jdx]
- Myrcene 60/400/900 MHz in CDCl3 NMR data[Mycene_3120ug200uL_CDCl3_HMBC_400MHz_Jeol.jdf]
-
8-[6-[6-(6-quinolin-8-ylpyridin-2-yl)pyridin-2-yl]pyridin-2-yl]quinoline Molecule
InChIKey GHSZFAPFCDZJHC-UHFFFAOYSA-N Molecular Formula C33H21N5
Related Dataset(s)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- heteronuclear multiple bond coherence (HMBC)
- correlation spectroscopy (COSY)
- infrared absorption spectroscopy (IR)
- heteronuclear single quantum coherence (HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- mass spectrometry (MS)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
-
8-chloro-2-(2-fluorophenyl)-6-methylimidazo[1,2-a]pyridine Molecule
InChIKey MNWHHCRXBACDMO-UHFFFAOYSA-N Molecular Formula C14H10ClFN2
Related Dataset(s)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear single quantum coherence (HSQC)
- mass spectrometry (MS)
- correlation spectroscopy (COSY)
- heteronuclear multiple bond coherence (HMBC)
- 19F nuclear magnetic resonance spectroscopy (19F NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- infrared absorption spectroscopy (IR)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
-
8-chloro-2-(2-fluorophenyl)imidazo[1,2-a]pyridine Molecule
InChIKey RITJJKBOMYWBLG-UHFFFAOYSA-N Molecular Formula C13H8ClFN2
Related Dataset(s)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear multiple bond coherence (HMBC)
- infrared absorption spectroscopy (IR)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 19F nuclear magnetic resonance spectroscopy (19F NMR)
- heteronuclear single quantum coherence (HSQC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- correlation spectroscopy (COSY)
- mass spectrometry (MS)
-
8-chloro-2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine Molecule
InChIKey LHUTUFIEQFAVFB-UHFFFAOYSA-N Molecular Formula C14H7ClF4N2
Related Dataset(s)
- distortionless enhancement with polarization transfer (DEPT)
- mass spectrometry (MS)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- correlation spectroscopy (COSY)
- heteronuclear single quantum coherence (HSQC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 19F nuclear magnetic resonance spectroscopy (19F NMR)
- heteronuclear multiple bond coherence (HMBC)
- infrared absorption spectroscopy (IR)
-
8-chloro-2-(4-fluorophenyl)-6-methylimidazo[1,2-a]pyridine Molecule
InChIKey CFZOSNJUTXJGRX-UHFFFAOYSA-N Molecular Formula C14H10ClFN2
Related Dataset(s)
- mass spectrometry (MS)
- 19F nuclear magnetic resonance spectroscopy (19F NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- correlation spectroscopy (COSY)
- infrared absorption spectroscopy (IR)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear multiple bond coherence (HMBC)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- heteronuclear single quantum coherence (HSQC)
-
8-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridine Molecule
InChIKey PGCCRJVQXFSFNG-UHFFFAOYSA-N Molecular Formula C13H8ClFN2
Related Dataset(s)
- heteronuclear multiple bond coherence (HMBC)
- mass spectrometry (MS)
- correlation spectroscopy (COSY)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear single quantum coherence (HSQC)
- infrared absorption spectroscopy (IR)
- 19F nuclear magnetic resonance spectroscopy (19F NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
-
8-chloro-2-phenylimidazo[1,2-a]pyridine Molecule
InChIKey GSUJVBYDVUYTAD-UHFFFAOYSA-N Molecular Formula C13H9ClN2
Related Dataset(s)
- distortionless enhancement with polarization transfer (DEPT)
- mass spectrometry (MS)
- heteronuclear single quantum coherence (HSQC)
- correlation spectroscopy (COSY)
- infrared absorption spectroscopy (IR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- heteronuclear multiple bond coherence (HMBC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
-
8-chloro-6-methyl-2-phenylimidazo[1,2-a]pyridine Molecule
InChIKey KLJOQBVCGLPIKO-UHFFFAOYSA-N Molecular Formula C14H11ClN2
Related Dataset(s)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear multiple bond coherence (HMBC)
- 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)
- correlation spectroscopy (COSY)
- infrared absorption spectroscopy (IR)
- mass spectrometry (MS)
-
9,9-dimethylxanthene Molecule
InChIKey MTVNAPYHLASOSX-UHFFFAOYSA-N Molecular Formula C15H14O
Related Dataset(s)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- heteronuclear multiple bond coherence (HMBC)
- heteronuclear single quantum coherence (HSQC)
- correlation spectroscopy (COSY)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
-
9-hydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-... Molecule
InChIKey GPFVBJYXFRIOFB-UHFFFAOYSA-N Molecular Formula C20H28O3
Related Dataset(s)
- 20221118-VS-Diterpen 14[15]
- 20221118-VS-Diterpen 15[15]
- 20221118-VS-Diterpen 14[10]
- 20221118-VS-Diterpen 15[12]
- 20221118-VS-Diterpen 15[13]
- 20221118-VS-Diterpen 14[12]
- 20221118-VS-Diterpen 14[11]
- 20221118-VS-Diterpen 15[14]
- 20221118-VS-Diterpen 15[10]
- 20221118-VS-Diterpen 14[14]
- 20221118-VS-Diterpen 15[11]
- 20221118-VS-Diterpen 14[13]
-
9-methyl-9-azabicyclo[3.3.1]nonan-3-one Molecule
InChIKey RHWSKVCZXBAWLZ-UHFFFAOYSA-N Molecular Formula C9H15NO
Related Dataset(s)
- Pseudopelletierin.noesy
- Pseudopelletierine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
- Pseudopelletierin.aptjmod
- Pseudopelletierin.1d
- Pseudopelletierine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
- Pseudopelletierine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
- Pseudopelletierine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
- Pseudopelletierin.cosy
- Pseudopelletierine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
-
N,N,N',N'-tetramethylethane-1,2-diamine Molecule
InChIKey KWYHDKDOAIKMQN-UHFFFAOYSA-N Molecular Formula C6H16N2
Related Dataset(s)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear single quantum coherence (HSQC)
- correlation spectroscopy (COSY)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear multiple bond coherence (HMBC)
-
N-(1-adamantyl)-1-(5-chloropentyl)indazole-3-carboxamide Molecule
InChIKey LGENBCKWDLSPTD-UHFFFAOYSA-N
Related Dataset(s)
-
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-butylindazole-3-carboxamide Molecule
InChIKey OYARCJMQMAFMTG-UHFFFAOYSA-N
Related Dataset(s)
-
N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-butylindazole-3-carboxamide Molecule
InChIKey GPWADXHYJAZPAX-UHFFFAOYSA-N
Related Dataset(s)
-
N-(4-methylphenyl)propanamide Molecule
InChIKey XWSRKIHDBLVVQU-UHFFFAOYSA-N Molecular Formula C10H13NO
Related Dataset(s)
-
N-(benzhydrylideneamino)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-h... Molecule
InChIKey ZTYGGDYWDPKPHR-UHFFFAOYSA-N Molecular Formula C29H26N2
Related Dataset(s)
- heteronuclear single quantum coherence (HSQC)
- infrared absorption spectroscopy (IR)
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
- correlation spectroscopy (COSY)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- fast-atom bombardment mass spectrometry (FABMS)
-
N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acet... Molecule
InChIKey IAKHMKGGTNLKSZ-INIZCTEOSA-N Molecular Formula C22H25NO6
Related Dataset(s)
- Colchicine; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
- Colchicine; LC-ESI-Q; MS; POS; 90 V
- Colchicine; LC-ESI-ITFT; MS2; CE: 100%; R=15000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 85%; R=15000; [M+H]+
- Colchicin.hsqc
- Colchicine; LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
- Colchicine; LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
- Colchicine; LC-ESI-Q; MS; POS; 45 V
- Colchicin.cosy
- Colchicine; LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
- Colchicine; LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
- Colchicine; LC-ESI-QTOF; MS2; HILIC; CE: 30 eV; R=35000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
- Colchicine; LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
- Colchicine; LC-ESI-Q; MS; POS; 60 V
- Colchicin.1d
- Colchicine; LC-ESI-Q; MS; POS; 15 V, 30 V
- Colchicine; LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
- Colchicine; LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
- Colchicin.hmbc
- Colchicine; LC-ESI-ITFT; MS2; CE: 95%; R=15000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
- Colchicine; LC-ESI-Q; MS; POS; 75 V
- Colchicine; LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
- Colchicin.noesy
- Colchicine; LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
- Colchicine; LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
- Colchicine; LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV
- Colchicine; LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
- Colchicine; LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
- Colchicine; LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
- Colchicine; LC-ESI-QTOF; MS2; HILIC; CE: 10 eV; R=35000; [M+H]+
- Colchicine; LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
- Colchicine; LC-ESI-QTOF; MS2; HILIC; CE: 40 eV; R=35000; [M+H]+
- Colchicine; LC-ESI-QTOF; MS2; HILIC; CE: 20 eV; R=35000; [M+H]+
- Colchicine; LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
- Colchicine; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
- Colchicin.aptjmod
- Colchicine; LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 105%; R=15000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
- Colchicine; LC-ESI-QTOF; MS2; HILIC; CE: 50 eV; R=35000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
- Colchicine; LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
- Colchicine; LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
