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Propanoic acid, 3-(2-propenylthio)-, 1-methylethyl ester
SpectraBase Compound ID F0vx3xU4MFQ
InChI InChI=1S/C9H16O2S/c1-4-6-12-7-5-9(10)11-8(2)3/h4,8H,1,5-7H2,2-3H3
InChIKey NYGFOVCXWFFZSZ-UHFFFAOYSA-N
Mol Weight 188.28 g/mol
Molecular Formula C9H16O2S
Exact Mass 188.087101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EQWM9TqyU2h
Name Propanoic acid, 3-(2-propenylthio)-, 1-methylethyl ester
Alternate Name(s) Isopropyl 3-(allylsulfanyl)propanoate 3-(allylthio)propionic acid isopropyl ester 3-(prop-2-enylthio)propanoic acid propan-2-yl ester Propan-2-yl 3-prop-2-enylsulfanylpropanoate Propionic acid, 3-(allylthio)-, isopropyl ester
CAS Registry Number 24383-04-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O2S
InChI InChI=1S/C9H16O2S/c1-4-6-12-7-5-9(10)11-8(2)3/h4,8H,1,5-7H2,2-3H3
InChIKey NYGFOVCXWFFZSZ-UHFFFAOYSA-N
Molecular Weight 188.285 g/mol
SMILES C(C(OC(C)C)=O)CSCC=C
SPLASH splash10-000l-9400000000-c5ac86fbe9a305ccc3b0
Source of Spectrum AD-0-5589-0
Wiley ID 20180