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1-(Phenylthio)-4a-methyl-trans-octahydro-2(1H)-naphthalenone
SpectraBase Compound ID 60bQ58nHHup
InChI InChI=1S/C17H22OS/c1-17-11-6-5-9-14(17)16(15(18)10-12-17)19-13-7-3-2-4-8-13/h2-4,7-8,14,16H,5-6,9-12H2,1H3/t14?,16-,17-/m1/s1
InChIKey WEICQLPDYQQDRI-VNCLPFQGSA-N
Mol Weight 274.42 g/mol
Molecular Formula C17H22OS
Exact Mass 274.139137 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B17wMjuTbCC
Name 1-(Phenylthio)-4a-methyl-trans-octahydro-2(1H)-naphthalenone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22OS
InChI InChI=1S/C17H22OS/c1-17-11-6-5-9-14(17)16(15(18)10-12-17)19-13-7-3-2-4-8-13/h2-4,7-8,14,16H,5-6,9-12H2,1H3/t14?,16-,17-/m1/s1
InChIKey WEICQLPDYQQDRI-VNCLPFQGSA-N
Molecular Weight 274.422 g/mol
SMILES [C@@]1(C2[C@](C)(CCCC2)CCC1=O)(Sc1ccccc1)[H]
SPLASH splash10-06di-0490000000-7c800ba772176e7726f2
Source of Spectrum J-56-5226-8
Synonyms (1R,4aR)-4a-methyl-1-(phenylsulfanyl)octahydro-2(1H)-naphthalenone
Wiley ID 1278386