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(2R*,8aS*)-1-Benzyl-3(E)-ethylidene-4-methyl-2-isopropyl-1,2,3,5,6,7,8,8a-octahydroquinoline
SpectraBase Compound ID LG6xqshXfEc
InChI InChI=1S/C22H31N/c1-5-19-17(4)20-13-9-10-14-21(20)23(22(19)16(2)3)15-18-11-7-6-8-12-18/h5-8,11-12,16,21-22H,9-10,13-15H2,1-4H3/b19-5+/t21-,22+/m0/s1
InChIKey SESVQOZYLMBTID-FPPHHTCDSA-N
Mol Weight 309.5 g/mol
Molecular Formula C22H31N
Exact Mass 309.24565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5C8j6YrEJXY
Name (2R*,8aS*)-1-Benzyl-3(E)-ethylidene-4-methyl-2-isopropyl-1,2,3,5,6,7,8,8a-octahydroquinoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H31N
InChI InChI=1S/C22H31N/c1-5-19-17(4)20-13-9-10-14-21(20)23(22(19)16(2)3)15-18-11-7-6-8-12-18/h5-8,11-12,16,21-22H,9-10,13-15H2,1-4H3/b19-5+/t21-,22+/m0/s1
InChIKey SESVQOZYLMBTID-FPPHHTCDSA-N
Molecular Weight 309.497 g/mol
SMILES [C@]1(N([C@@]2(C(=C(\C1=C\C)C)CCCC2)[H])Cc1ccccc1)(C(C)C)[H]
SPLASH splash10-0gbi-0970000000-b22a4ff84c1d15a69b7d
Source of Spectrum F-68-7849-24
Synonyms (2R,3E,8aS)-1-benzyl-3-ethylidene-2-isopropyl-4-methyl-1,2,3,5,6,7,8,8a-octahydroquinoline
Wiley ID 1573498