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3-Pentenoic acid, 4-methyl-2-(methylsulfonyl)-, methyl ester
SpectraBase Compound ID EK92xIfYPAK
InChI InChI=1S/C8H14O4S/c1-6(2)5-7(8(9)12-3)13(4,10)11/h5,7H,1-4H3
InChIKey TYBXADIVTUKCMY-UHFFFAOYSA-N
Mol Weight 206.26 g/mol
Molecular Formula C8H14O4S
Exact Mass 206.06128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LcPPZSmtf8A
Name 3-Pentenoic acid, 4-methyl-2-(methylsulfonyl)-, methyl ester
CAS Registry Number 67428-53-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14O4S
InChI InChI=1S/C8H14O4S/c1-6(2)5-7(8(9)12-3)13(4,10)11/h5,7H,1-4H3
InChIKey TYBXADIVTUKCMY-UHFFFAOYSA-N
Molecular Weight 206.256 g/mol
SMILES C(S(=O)(=O)C)(C=C(C)C)C(=O)OC
SPLASH splash10-00vm-7900000000-61d1871174aa90256ade
Source of Spectrum C-100-3434-0
Synonyms Methyl 4-methyl-2-(methylsulfonyl)-3-pentenoate Methyl-4-methyl-2-methylsulfonyl-3-butenoate
Wiley ID 1203849