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Butanethioic acid, 3-methyl-2-[(methylsulfonyl)oxy]-, S-phenyl ester
SpectraBase Compound ID 3D9657V8s1V
InChI InChI=1S/C12H16O4S2/c1-9(2)11(16-18(3,14)15)12(13)17-10-7-5-4-6-8-10/h4-9,11H,1-3H3
InChIKey RRCGMXNGYIQHAX-UHFFFAOYSA-N
Mol Weight 288.38 g/mol
Molecular Formula C12H16O4S2
Exact Mass 288.049001 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AP9Mn2I6QAN
Name Butanethioic acid, 3-methyl-2-[(methylsulfonyl)oxy]-, S-phenyl ester
Alternate Name(s) S-phenyl 2-methanesulphonyloxy-3-methyl(thiobutanoate) S-phenyl 3-methyl-2-[(methylsulfonyl)oxy]butanethioate
CAS Registry Number 132364-64-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O4S2
InChI InChI=1S/C12H16O4S2/c1-9(2)11(16-18(3,14)15)12(13)17-10-7-5-4-6-8-10/h4-9,11H,1-3H3
InChIKey RRCGMXNGYIQHAX-UHFFFAOYSA-N
Molecular Weight 288.376 g/mol
SMILES C(OS(=O)(=O)C)(C(Sc1ccccc1)=O)C(C)C
SPLASH splash10-0udr-0900000000-e92bddae4de09a0c7583
Source of Spectrum F-46-7439-2
Wiley ID 1291291