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(2R*,8aS*)-1-Benzyl-3(E)-ethylidene-4-t-butyl-2-phenyl-1,2,3,5,6,7,8,8a-octahydroquinoline
SpectraBase Compound ID LiqX4dFg10n
InChI InChI=1S/C28H35N/c1-5-23-26(28(2,3)4)24-18-12-13-19-25(24)29(20-21-14-8-6-9-15-21)27(23)22-16-10-7-11-17-22/h5-11,14-17,25,27H,12-13,18-20H2,1-4H3/b23-5+/t25-,27+/m0/s1
InChIKey GPYYONDBINKGOH-NKZXSTAPSA-N
Mol Weight 385.6 g/mol
Molecular Formula C28H35N
Exact Mass 385.27695 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KyXSpeh7Db0
Name (2R*,8aS*)-1-Benzyl-3(E)-ethylidene-4-t-butyl-2-phenyl-1,2,3,5,6,7,8,8a-octahydroquinoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H35N
InChI InChI=1S/C28H35N/c1-5-23-26(28(2,3)4)24-18-12-13-19-25(24)29(20-21-14-8-6-9-15-21)27(23)22-16-10-7-11-17-22/h5-11,14-17,25,27H,12-13,18-20H2,1-4H3/b23-5+/t25-,27+/m0/s1
InChIKey GPYYONDBINKGOH-NKZXSTAPSA-N
Molecular Weight 385.595 g/mol
SMILES [C@]1(N([C@@]2(C(=C(\C1=C\C)C(C)(C)C)CCCC2)[H])Cc1ccccc1)(c1ccccc1)[H]
SPLASH splash10-0udr-0901000000-baf67eeac7ff2bcb4618
Source of Spectrum F-68-7852-32
Synonyms (2R,3E,8aS)-1-benzyl-4-tert-butyl-3-ethylidene-2-phenyl-1,2,3,5,6,7,8,8a-octahydroquinoline
Wiley ID 1573484