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2-Iodo-2-methyl-3-(4-tolyl-sulfonyl)-propionic acid, methyl ester

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2-Iodo-2-methyl-3-(4-tolyl-sulfonyl)-propionic acid, methyl ester
SpectraBase Compound ID LC2GN2Mutgx
InChI InChI=1S/C12H15IO4S/c1-9-4-6-10(7-5-9)18(15,16)8-12(2,13)11(14)17-3/h4-7H,8H2,1-3H3
InChIKey YJOVNWYFKQKOHX-UHFFFAOYSA-N
Mol Weight 382.21 g/mol
Molecular Formula C12H15IO4S
Exact Mass 381.973575 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EkyTpIhkwme
Name Propanoic acid, 2-iodo-2-methyl-3-[(4-methylphenyl)sulfonyl]-, methyl ester
CAS Registry Number 117659-22-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15IO4S
InChI InChI=1S/C12H15IO4S/c1-9-4-6-10(7-5-9)18(15,16)8-12(2,13)11(14)17-3/h4-7H,8H2,1-3H3
InChIKey YJOVNWYFKQKOHX-UHFFFAOYSA-N
Molecular Weight 382.212 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)C(C(=O)OC)(I)C
SPLASH splash10-00kf-9410000000-933cb0442d890d0d6527
Source of Spectrum KC-1988-1031-2
Synonyms Methyl 2-iodo-2-methyl-3-(p-tolylsulphonyl)propionoate Methyl 2-iodo-2-methyl-3-[(4-methylphenyl)sulfonyl]propanoate
Wiley ID 1360342