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Spiro[4.5]decan-7-one, 1-methyl-4-(1-methylethyl)-8-(phenylthio)-, (1.alpha.,4.alpha.,5.alpha.)-(.+-.)-
SpectraBase Compound ID 2yNBhgL1jOa
InChI InChI=1S/C20H28OS/c1-14(2)17-10-9-15(3)20(17)12-11-19(18(21)13-20)22-16-7-5-4-6-8-16/h4-8,14-15,17,19H,9-13H2,1-3H3/t15-,17-,19?,20+/m1/s1
InChIKey AQXCCEJXBUSBPN-UFOQZSBZSA-N
Mol Weight 316.5 g/mol
Molecular Formula C20H28OS
Exact Mass 316.186087 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1LIYgmm7670
Name Spiro[4.5]decan-7-one, 1-methyl-4-(1-methylethyl)-8-(phenylthio)-, (1.alpha.,4.alpha.,5.alpha.)-(.+-.)-
CAS Registry Number 65408-95-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28OS
InChI InChI=1S/C20H28OS/c1-14(2)17-10-9-15(3)20(17)12-11-19(18(21)13-20)22-16-7-5-4-6-8-16/h4-8,14-15,17,19H,9-13H2,1-3H3/t15-,17-,19?,20+/m1/s1
InChIKey AQXCCEJXBUSBPN-UFOQZSBZSA-N
Molecular Weight 316.503 g/mol
SMILES [C@]12(CC(=O)C(CC2)Sc2ccccc2)[C@](CC[C@]1(C)[H])(C(C)C)[H]
SPLASH splash10-0a4j-7790000000-de25c5360774715992f8
Source of Spectrum H-60-2400-0
Synonyms (1R*,4S*,5R*)-7-Isopropyl-4-methyl-8-phenylthio-spiro(4.5)decan-7-one (1R,4R,5S)-1-isopropyl-4-methyl-8-(phenylsulfanyl)spiro[4.5]decan-7-one
Wiley ID 1317021