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(2S,3E,8aR)-1-benzyl-3-benzylidene-2-hexyl-4-methyl-2,5,6,7,8,8a-hexahydroquinoline
SpectraBase Compound ID 4jOj7pk6PZv
InChI InChI=1S/C30H39N/c1-3-4-5-12-20-30-28(22-25-15-8-6-9-16-25)24(2)27-19-13-14-21-29(27)31(30)23-26-17-10-7-11-18-26/h6-11,15-18,22,29-30H,3-5,12-14,19-21,23H2,1-2H3/b28-22+/t29-,30+/m1/s1
InChIKey OMZBMCYMYXTRLW-AAOXGKPRSA-N
Mol Weight 413.6 g/mol
Molecular Formula C30H39N
Exact Mass 413.30825 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Y3nPmyfS1I
Name (2S,3E,8aR)-1-benzyl-3-benzylidene-2-hexyl-4-methyl-2,5,6,7,8,8a-hexahydroquinoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H39N
InChI InChI=1S/C30H39N/c1-3-4-5-12-20-30-28(22-25-15-8-6-9-16-25)24(2)27-19-13-14-21-29(27)31(30)23-26-17-10-7-11-18-26/h6-11,15-18,22,29-30H,3-5,12-14,19-21,23H2,1-2H3/b28-22+/t29-,30+/m1/s1
InChIKey OMZBMCYMYXTRLW-AAOXGKPRSA-N
Molecular Weight 413.649 g/mol
SMILES [C@@]1(N([C@]2(C(=C(\C1=C\c1ccccc1)C)CCCC2)[H])Cc1ccccc1)(CCCCCC)[H]
SPLASH splash10-004i-0009000000-f470c99221d736b57646
Source of Spectrum F-68-7851-28
Synonyms (2S,3E,8aR)-2-hexyl-4-methyl-1-(phenylmethyl)-3-(phenylmethylene)-2,5,6,7,8,8a-hexahydroquinoline (2S,3E,8aR)-2-hexyl-4-methyl-1-(phenylmethyl)-3-(phenylmethylidene)-2,5,6,7,8,8a-hexahydroquinoline (2S,3E,8aR)-3-benzal-1-benzyl-2-hexyl-4-methyl-2,5,6,7,8,8a-hexahydroquinoline
Wiley ID 1573490