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1,3-Oxathiolane-2-acetic acid, 2-methyl-, methyl ester
SpectraBase Compound ID j39JUlt5vo
InChI InChI=1S/C7H12O3S/c1-7(5-6(8)9-2)10-3-4-11-7/h3-5H2,1-2H3
InChIKey IPBJFXHDCTZHTJ-UHFFFAOYSA-N
Mol Weight 176.23 g/mol
Molecular Formula C7H12O3S
Exact Mass 176.050715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lp2Beui9qLa
Name 1,3-Oxathiolane-2-acetic acid, 2-methyl-, methyl ester
Alternate Name(s) 2-(2-Methyl-1,3-oxathiolan-2-yl)acetic acid methyl ester Methyl (2-methyl-1,3-oxathiolan-2-yl)acetate 2-Methyl-1,3-oxathiolane-2-acetic acid methyl ester Methyl 2-(2-methyl-1,3-oxathiolan-2-yl)acetate Methyl 2-(2-methyl-1,3-oxathiolan-2-yl)ethanoate
CAS Registry Number 80563-95-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12O3S
InChI InChI=1S/C7H12O3S/c1-7(5-6(8)9-2)10-3-4-11-7/h3-5H2,1-2H3
InChIKey IPBJFXHDCTZHTJ-UHFFFAOYSA-N
Molecular Weight 176.230 g/mol
SMILES C1SC(OC1)(C)CC(=O)OC
SPLASH splash10-03di-9300000000-b5f6908f4892a13623bd
Source of Spectrum O-21-468-3
Wiley ID 1171929