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(6S,12R)-6-benzyl-4-cyclohexyl-10-prop-2-enyl-1,4,7,10-tetrazabicyclo[10.3.0]... Molecule
InChIKey QVAADPPLQSWGQE-XZOQPEGZSA-N Molecular Formula C27H36N4O4
Related Dataset(s)
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(6S,9S,12R)-4,6-dibenzyl-9-butyl-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2... Molecule
InChIKey RLRTURXXZJRTDG-CCDWMCETSA-N Molecular Formula C29H36N4O4
Related Dataset(s)
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(6S,9S,12R)-4-benzyl-9-butyl-6-(1H-indol-3-ylmethyl)-1,4,7,10-tetrazabicyclo[... Molecule
InChIKey QNHXEQKAMFHKSO-GMQQYTKMSA-N Molecular Formula C31H37N5O4
Related Dataset(s)
-
(6S,9S,12R)-6-benzyl-9-butyl-4-(2-methylpropyl)-1,4,7,10-tetrazabicyclo[10.3.... Molecule
InChIKey IFQFXRJTEJFFPN-FDFHNCONSA-N Molecular Formula C26H38N4O4
Related Dataset(s)
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(9S,9aR)-7-hydroxy-9-(4-hydroxy-3-methoxyphenyl)-6-methoxy-3a,4,9,9a-tetrahyd... Molecule
InChIKey CAYMSCGTKZIVTN-YYVQVQHNSA-N Molecular Formula C20H20O6
Related Dataset(s)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- rotating frame Overhauser effect spectroscopy (ROESY)
- nuclear magnetic resonance spectroscopy (NMR)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
-
(E)-3-pyridin-2-ylprop-2-enal Molecule
InChIKey ZVEJSCDZTXEUBM-HWKANZROSA-N Molecular Formula C8H7NO
Related Dataset(s)
-
(E)-3-pyridin-3-ylprop-2-enal Molecule
InChIKey FLPQTOXLAPFNMR-DUXPYHPUSA-N Molecular Formula C8H7NO
Related Dataset(s)
-
(E)-3-pyridin-4-ylprop-2-enal Molecule
InChIKey PEIRJCZXFPMXTI-OWOJBTEDSA-N Molecular Formula C8H7NO
Related Dataset(s)
-
(E)-N-(1,3-benzothiazol-2-yl)-1-(1H-pyrrol-2-yl)methanimine Molecule
InChIKey MHSZCQKGNCQJGP-RIYZIHGNSA-N Molecular Formula C12H9N3S
Related Dataset(s)
-
(E)-N-(1,3-benzothiazol-2-yl)-1-pyrrol-1-id-2-ylmethanimine;copper(1+);[2-(2-... Molecule
InChIKey XWYMULSFAJAODR-TXTNVABFSA-N Molecular Formula C48H36CuN3OP2S
Related Dataset(s)
- single crystal X-ray diffraction (single-crystal X-ray diffraction)
- Fourier transform infrared spectroscopy (FTIR)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- proton-decoupled 31P nuclear magnetic resonance spectroscopy (31P{1H}-NMR)
- elemental analysis (EA)
- fast-atom bombardment mass spectrometry (FABMS)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
-
(E)-N-(1,3-benzothiazol-2-yl)-1-pyrrol-1-id-2-ylmethanimine;copper(1+);triphe... Molecule
InChIKey KVOIVNBYNQXCNY-BOCHJOTCSA-N Molecular Formula C48H38CuN3P2S
Related Dataset(s)
- proton-decoupled 31P nuclear magnetic resonance spectroscopy (31P{1H}-NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- elemental analysis (EA)
- single crystal X-ray diffraction (single-crystal X-ray diffraction)
- high resolution fast-atom bombardment mass spectrometry (HRFABMS)
- Fourier transform infrared spectroscopy (FTIR)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
-
(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4... Molecule
InChIKey LOUPRKONTZGTKE-WZBLMQSHSA-N Molecular Formula C20H24N2O2
Related Dataset(s)
- 1H--15N heteronuclear multiple bond coherence (15N-1H HMBC)
- Quinine.hmbc
- Quinine[2]
- Quinine; LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
- Quinine; MALDI-TOFTOF; MS2; CE: 20kV; [M+H]+
- Quinine; LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
- Quinine; LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
- Quinine; LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
- Quinine.noesy
- Quinine; LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
- Quinine; LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- Quinine[1]
- Quinine.aptjmod
- 1H--1H correlation spectroscopy (1H-1H COSY)
- Quinine[4]
- Quinine[5]
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY)
- Quinine.proton
- Quinine.cosy
- Quinine.hsqc
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- Quinine[6]
- Quinine[3]
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(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol Molecule
InChIKey KMPWYEUPVWOPIM-KODHJQJWSA-N Molecular Formula C19H22N2O
Related Dataset(s)
- 1H--15N heteronuclear multiple bond coherence (15N-1H HMBC)
- Cinchonidine; LC-ESI-QTOF; MS2
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- Cinchonidine; LC-ESI-QQQ; MS; [M+H]+
- Cinchonidine; LC-ESI-QTOF; MS2
- Cinchonidine; LC-ESI-QTOF; MS2
- Cinchonidine; LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- Cinchonidine; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
- Cinchonidine; LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
- Cinchonidine; LC-ESI-QTOF; MS2
- Cinchonidine; LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
- Cinchonidine; LC-ESI-QTOF; MS2
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- Cinchonidine; LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
- Cinchonidine; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
- 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY)
- Cinchonidine; LC-ESI-QTOF; MS2
- 1H--1H correlation spectroscopy (1H-1H COSY)
- Cinchonidine; LC-ESI-QTOF; MS2
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- Cinchonidine; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
- Cinchonidine; LC-ESI-QTOF; MS2
- Cinchonidine; LC-ESI-QTOF; MS2
- Cinchonidine; LC-ESI-QTOF; MS2
- Cinchonidine; LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
- Cinchonidine; LC-ESI-QTOF; MS2
- Cinchonidine; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
-
(R)-[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-y... Molecule
InChIKey LJOQGZACKSYWCH-WZBLMQSHSA-N Molecular Formula C20H26N2O2
Related Dataset(s)
- 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY)
- 1H--15N heteronuclear multiple bond coherence (15N-1H HMBC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
-
(S)-(6-aminoquinolin-4-yl)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-y... Molecule
InChIKey PPQWXNWLIDJACB-WXPXUSHHSA-N Molecular Formula C19H23N3O
Related Dataset(s)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1H--15N heteronuclear multiple bond coherence (15N-1H HMBC)
- 1H--15N heteronuclear single quantum coherence (1H-15N HSQC)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY)
-
(S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4... Molecule
InChIKey LOUPRKONTZGTKE-LHHVKLHASA-N Molecular Formula C20H24N2O2
Related Dataset(s)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- Quinidine; LC-ESI-Q; MS; POS; 60 V
- Quinidine; LC-ESI-Q; MS; POS; 75 V
- Quinidine; LC-ESI-Q; MS; POS; 15 V, 30 V
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H--15N heteronuclear multiple bond coherence (15N-1H HMBC)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY)
- Quinidine; LC-ESI-Q; MS; POS; 45 V
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- Quinidine; LC-ESI-Q; MS; POS; 90 V
-
(S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol Molecule
InChIKey KMPWYEUPVWOPIM-QAMTZSDWSA-N Molecular Formula C19H22N2O
Related Dataset(s)
- Cinchonine; LC-ESI-QTOF; MS2
- Cinchonine; LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV
- Cinchonine; LC-ESI-QTOF; MS2
- Cinchonine; LC-ESI-QTOF; MS2
- Cinchonine; LC-ESI-Q; MS; POS; 15 V, 30 V
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- Cinchonine; LC-ESI-ITFT; MS; [M+H]+; isotope pattern
- Cinchonine; LC-ESI-QTOF; MS2
- Cinchonine; LC-ESI-QQQ; MS; [M+H]+
- Cinchonine; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
- Cinchonine; LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- Cinchonine; LC-ESI-QTOF; MS2
- Cinchonine; LC-ESI-Q; MS; POS; 60 V
- Cinchonine; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
- Cinchonine; LC-ESI-QTOF; MS2
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- Cinchonine; LC-ESI-QTOF; MS2
- Cinchonine; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
- Cinchonine; LC-ESI-QTOF; MS2; CE:15 eV; [M+H]+
- Cinchonine; LC-ESI-QTOF; MS2; CE:30 eV; [M+H]+
- Cinchonine; LC-ESI-ITFT; MS2; CE 35 eV; [M+H]+
- Cinchonine; LC-ESI-QTOF; MS2
- Cinchonine; LC-ESI-ITFT; MS2; CE 45 eV; [M+H]+
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- Cinchonine; LC-ESI-QTOF; MS2
- Cinchonine; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
- Cinchonine; LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
- Cinchonine; LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
- 1H--15N heteronuclear multiple bond coherence (15N-1H HMBC)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- Cinchonine; LC-ESI-QTOF; MS2
- Cinchonine; LC-ESI-QTOF; MS2
- Cinchonine; LC-ESI-ITFT; MS2; CE 55 eV; [M+H]+
- Cinchonine; LC-ESI-Q; MS; POS; 45 V
- Cinchonine; LC-ESI-Q; MS; POS; 75 V, 90 V
- Cinchonine; LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+
- Cinchonine; LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
- Cinchonine; LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
- Cinchonine; LC-ESI-QTOF; MS2
-
(S)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-y... Molecule
InChIKey LJOQGZACKSYWCH-LHHVKLHASA-N Molecular Formula C20H26N2O2
Related Dataset(s)
- Hydroquinidine; LC-ESI-Q; MS; POS; 90 V
- Hydroquinidine; LC-ESI-QTOF; MS; POSITIVE
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- Hydroquinidine; LC-APCI-QTOF; MS; NEGATIVE
- Hydroquinidine; LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
- Hydroquinidine; LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
- Hydroquinidine; LC-ESI-Q; MS; POS; 45 V
- Hydroquinidine; LC-ESI-QTOF; MS; NEGATIVE
- Hydroquinidine; LC-ESI-Q; MS; POS; 30 V
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- Hydroquinidine; LC-ESI-Q; MS; POS; 60 V
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- Hydroquinidine; LC-APCI-QTOF; MS; POSITIVE
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- Hydroquinidine; LC-ESI-Q; MS; POS; 15 V
- Hydroquinidine; LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
- Hydroquinidine; LC-ESI-Q; MS; POS; 75 V
- 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY)
- 1H--15N heteronuclear multiple bond coherence (15N-1H HMBC)
-
1,2,3,4-tetrabromo-5,5-dimethoxycyclopenta-1,3-diene Molecule
InChIKey KYLWWILISUILBZ-UHFFFAOYSA-N Molecular Formula C7H6Br4O2
Related Dataset(s)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
-
1,2,3,4-tetrahydroisoquinoline Molecule
InChIKey UWYZHKAOTLEWKK-UHFFFAOYSA-N Molecular Formula C9H11N
Related Dataset(s)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1,2,3,4-TETRAHYDROISOQUINOLINE; EI-B; MS
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--1H correlation spectroscopy (1H-1H COSY)
