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(1S,3S)-2-Benzyl-1-(2',2'-dimethoxyethyl)-1,2,3,4-tetrahydrocarboline-3-carbonitrile

View entire compound with spectra: 1 MS (GC)

(1S,3S)-2-Benzyl-1-(2',2'-dimethoxyethyl)-1,2,3,4-tetrahydrocarboline-3-carbonitrile
SpectraBase Compound ID 6DUOt2HmAvC
InChI InChI=1S/C23H25N3O2/c1-27-22(28-2)13-21-23-19(18-10-6-7-11-20(18)25-23)12-17(14-24)26(21)15-16-8-4-3-5-9-16/h3-11,17,21-22,25H,12-13,15H2,1-2H3/t17-,21-/m0/s1
InChIKey CIUITFNRVQRRSV-UWJYYQICSA-N
Mol Weight 375.47 g/mol
Molecular Formula C23H25N3O2
Exact Mass 375.194677 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FYU33tExbO7
Name (1S,3S)-2-Benzyl-1-(2',2'-dimethoxyethyl)-1,2,3,4-tetrahydrocarboline-3-carbonitrile
Alternate Name(s) (1S,3S)-2-benzyl-1-(2,2-dimethoxyethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carbonitrile (1S,3S)-1-(2,2-dimethoxyethyl)-2-(phenylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carbonitrile
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Formula C23H25N3O2
InChI InChI=1S/C23H25N3O2/c1-27-22(28-2)13-21-23-19(18-10-6-7-11-20(18)25-23)12-17(14-24)26(21)15-16-8-4-3-5-9-16/h3-11,17,21-22,25H,12-13,15H2,1-2H3/t17-,21-/m0/s1
InChIKey CIUITFNRVQRRSV-UWJYYQICSA-N
Molecular Weight 375.472 g/mol
SMILES [nH]1c2ccccc2c2c1[C@@](N([C@@](C2)(C#N)[H])Cc1ccccc1)(CC(OC)OC)[H]
SPLASH splash10-054o-9185000000-3987f221290cf475e22f
Source of Spectrum U-1993-144-0
Wiley ID 764760