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2-Iodo-3-(4-tolyl-sulfonyl)-propionic acid, ethyl ester
SpectraBase Compound ID 5Y72UjX77rl
InChI InChI=1S/C12H15IO4S/c1-3-17-12(14)11(13)8-18(15,16)10-6-4-9(2)5-7-10/h4-7,11H,3,8H2,1-2H3
InChIKey VQBZKVJQZYGEFA-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 5zxgMDqEjra
Name Propanoic acid, 2-iodo-3-[(4-methylphenyl)sulfonyl]-, ethyl ester
Alternate Name(s) Ethyl 2-iodo-3-(p-tolylsulphonyl)propionoate Ethyl 2-iodo-3-[(4-methylphenyl)sulfonyl]propanoate
CAS Registry Number 117659-20-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15IO4S
InChI InChI=1S/C12H15IO4S/c1-3-17-12(14)11(13)8-18(15,16)10-6-4-9(2)5-7-10/h4-7,11H,3,8H2,1-2H3
InChIKey VQBZKVJQZYGEFA-UHFFFAOYSA-N
Molecular Weight 382.212 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)C(C(=O)OCC)I
SPLASH splash10-052f-9420000000-96354939cfc279766aa7
Source of Spectrum KC-1988-1031-2
Wiley ID 1360340