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14-Methyl-15-phenylsulfonyl-12-pentadecanolide
SpectraBase Compound ID 2jTn8T1aYq7
InChI InChI=1S/C22H34O4S/c1-19(18-27(24,25)21-14-10-8-11-15-21)17-20-13-9-6-4-2-3-5-7-12-16-22(23)26-20/h8,10-11,14-15,19-20H,2-7,9,12-13,16-18H2,1H3
InChIKey RUDAWELGTHHDCD-UHFFFAOYSA-N
Mol Weight 394.6 g/mol
Molecular Formula C22H34O4S
Exact Mass 394.217781 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4HtQLgdC08
Name 14-Methyl-15-phenylsulfonyl-12-pentadecanolide
Alternate Name(s) 13-(2-methyl-3-(phenylsulfonyl)propyl)oxacyclotridecan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H34O4S
InChI InChI=1S/C22H34O4S/c1-19(18-27(24,25)21-14-10-8-11-15-21)17-20-13-9-6-4-2-3-5-7-12-16-22(23)26-20/h8,10-11,14-15,19-20H,2-7,9,12-13,16-18H2,1H3
InChIKey RUDAWELGTHHDCD-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.19830660816
Molecular Weight 394.570 g/mol
SMILES C1CCCCCCCCCC(OC1CC(CS(c1ccccc1)(=O)=O)C)=O
SPLASH splash10-05mo-9200000000-9de6850f193e55d2bd24
Source of Spectrum H-66-2517-22
Wiley ID 1794869