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(2S,3E,8aR)-1-benzyl-3-benzylidene-4-methyl-2-phenyl-2,5,6,7,8,8a-hexahydroquinoline
SpectraBase Compound ID 65W3MMqQ3GH
InChI InChI=1S/C30H31N/c1-23-27-19-11-12-20-29(27)31(22-25-15-7-3-8-16-25)30(26-17-9-4-10-18-26)28(23)21-24-13-5-2-6-14-24/h2-10,13-18,21,29-30H,11-12,19-20,22H2,1H3/b28-21+/t29-,30+/m1/s1
InChIKey JORQIXMOHNJAFZ-TVFVAHLASA-N
Mol Weight 405.59 g/mol
Molecular Formula C30H31N
Exact Mass 405.24565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L2b9dtNX4xt
Name (2S,3E,8aR)-1-benzyl-3-benzylidene-4-methyl-2-phenyl-2,5,6,7,8,8a-hexahydroquinoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H31N
InChI InChI=1S/C30H31N/c1-23-27-19-11-12-20-29(27)31(22-25-15-7-3-8-16-25)30(26-17-9-4-10-18-26)28(23)21-24-13-5-2-6-14-24/h2-10,13-18,21,29-30H,11-12,19-20,22H2,1H3/b28-21+/t29-,30+/m1/s1
InChIKey JORQIXMOHNJAFZ-TVFVAHLASA-N
Molecular Weight 405.585 g/mol
SMILES [C@@]1(N([C@]2(C(=C(\C1=C\c1ccccc1)C)CCCC2)[H])Cc1ccccc1)(c1ccccc1)[H]
SPLASH splash10-054o-0009300000-a3909ee9ad7f3ec22851
Source of Spectrum F-68-7851-26
Synonyms (2S,3E,8aR)-3-benzal-1-benzyl-4-methyl-2-phenyl-2,5,6,7,8,8a-hexahydroquinoline (2S,3E,8aR)-4-methyl-2-phenyl-1-(phenylmethyl)-3-(phenylmethylene)-2,5,6,7,8,8a-hexahydroquinoline (2S,3E,8aR)-4-methyl-2-phenyl-1-(phenylmethyl)-3-(phenylmethylidene)-2,5,6,7,8,8a-hexahydroquinoline
Wiley ID 1573494