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(4aS,5R,6S,8aS)-5,6-Dimethyl-8a-methylsulfanylmethyl-5-vinyl-octahydro-naphthalen-1-one
SpectraBase Compound ID 2nPE6mKAwdK
InChI InChI=1S/C16H26OS/c1-5-15(3)12(2)9-10-16(11-18-4)13(15)7-6-8-14(16)17/h5,12-13H,1,6-11H2,2-4H3/t12-,13-,15+,16-/m0/s1
InChIKey KPRRSSBIFMJYHJ-UGQVUOCMSA-N
Mol Weight 266.44 g/mol
Molecular Formula C16H26OS
Exact Mass 266.170437 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kz54PI6ibbR
Name (4aS,5R,6S,8aS)-5,6-Dimethyl-8a-methylsulfanylmethyl-5-vinyl-octahydro-naphthalen-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H26OS
InChI InChI=1S/C16H26OS/c1-5-15(3)12(2)9-10-16(11-18-4)13(15)7-6-8-14(16)17/h5,12-13H,1,6-11H2,2-4H3/t12-,13-,15+,16-/m0/s1
InChIKey KPRRSSBIFMJYHJ-UGQVUOCMSA-N
Molecular Weight 266.443 g/mol
SMILES [C@]12([C@]([C@@](C=C)(C)[C@](CC2)(C)[H])(CCCC1=O)[H])CSC
SPLASH splash10-0600-0690000000-e7a092956c86042c16f6
Source of Spectrum KC-0-2026-8
Synonyms (4aR*,5S*,6R*,8aR*)-5,6-Dimethyl-8a-methylthiomethyl-5-vinyloctahydronaphthalen-1(2H)-one (4aS,5R,6S,8aS)-5,6-dimethyl-8a-[(methylsulfanyl)methyl]-5-vinyloctahydro-1(2H)-naphthalenone
Wiley ID 825637