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(1S,2S)-2-Isopropyl-1-phenylsulfanylmethylspiro[4.5]decan-6-one
SpectraBase Compound ID CLyS1Gx3F27
InChI InChI=1S/C20H28OS/c1-15(2)17-11-13-20(12-7-6-10-19(20)21)18(17)14-22-16-8-4-3-5-9-16/h3-5,8-9,15,17-18H,6-7,10-14H2,1-2H3/t17-,18-,20?/m0/s1
InChIKey BYUGAJDLTBVSHB-IJXZTRCJSA-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 8UNRpWRxAkd
Name (1S,2S)-2-Isopropyl-1-phenylsulfanylmethylspiro[4.5]decan-6-one
Alternate Name(s) (1S,2S)-2-isopropyl-1-((phenylthio)methyl)spiro[4.5]decan-6-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28OS
InChI InChI=1S/C20H28OS/c1-15(2)17-11-13-20(12-7-6-10-19(20)21)18(17)14-22-16-8-4-3-5-9-16/h3-5,8-9,15,17-18H,6-7,10-14H2,1-2H3/t17-,18-,20?/m0/s1
InChIKey BYUGAJDLTBVSHB-IJXZTRCJSA-N
Literature Reference DOI 10.1002/adsc.200505211
Molecular Weight 316.503 g/mol
SMILES [C@]1([C@@](CCC11C(CCCC1)=O)(C(C)C)[H])(CSc1ccccc1)[H]
SPLASH splash10-0a4l-9830000000-a91f574a686c24feb9ae
Source of Spectrum ASC-347-1587/SM24-15c_minor
Wiley ID 1767738