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2-HYDROXY-2-(METHYLTHIO)VALERIC ACID, METHYL ESTER, ACETATE
SpectraBase Compound ID 8TqdnDuXg73
InChI InChI=1S/C9H16O4S/c1-5-6-9(14-4,8(11)12-3)13-7(2)10/h5-6H2,1-4H3
InChIKey HXWZBBVZZQVGHI-UHFFFAOYSA-N
Mol Weight 220.28 g/mol
Molecular Formula C9H16O4S
Exact Mass 220.07693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6w2OcZB74tk
Name Pentanoic acid, 2-(acetyloxy)-2-(methylthio)-, methyl ester
Alternate Name(s) Methyl 2-(acetyloxy)-2-(methylsulfanyl)pentanoate
CAS Registry Number 63608-58-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O4S
InChI InChI=1S/C9H16O4S/c1-5-6-9(14-4,8(11)12-3)13-7(2)10/h5-6H2,1-4H3
InChIKey HXWZBBVZZQVGHI-UHFFFAOYSA-N
Molecular Weight 220.283 g/mol
SMILES C(OC(=O)C)(C(=O)OC)(SC)CCC
SPLASH splash10-066r-9100000000-72766a4135d2bdd22d5a
Source of Spectrum C-99-4410-0
Wiley ID 1219345