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2-But-3-enylsulfinylacetic acid methyl ester
SpectraBase Compound ID KCRTvDhBkeP
InChI InChI=1S/C7H12O3S/c1-3-4-5-11(9)6-7(8)10-2/h3H,1,4-6H2,2H3
InChIKey CSRPVPMYZHEGTR-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 EcGRbLpe6gA
Name 2-But-3-enylsulfinylacetic acid methyl ester
Alternate Name(s) Methyl 2-but-3-enylsulfinylacetate Methyl 2-but-3-enylsulfinylethanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12O3S
InChI InChI=1S/C7H12O3S/c1-3-4-5-11(9)6-7(8)10-2/h3H,1,4-6H2,2H3
InChIKey CSRPVPMYZHEGTR-UHFFFAOYSA-N
Molecular Weight 176.230 g/mol
SMILES C(S(=O)CCC=C)C(=O)OC
SPLASH splash10-0a4i-9300000000-96f7ed7310f0974e22cf
Source of Spectrum F-69-3831-80
Wiley ID 1595091