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4-METHYL-BENZOYL-ETHENE-SULFONYL-ACETIC-ACID

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4-METHYL-BENZOYL-ETHENE-SULFONYL-ACETIC-ACID
SpectraBase Compound ID 6SLGSsHWBbo
InChI InChI=1S/C12H12O5S/c1-9-2-4-10(5-3-9)11(13)6-7-18(16,17)8-12(14)15/h2-7H,8H2,1H3,(H,14,15)/b7-6+
InChIKey KWDYTYRKODAZJE-VOTSOKGWSA-N
Mol Weight 268.28 g/mol
Molecular Formula C12H12O5S
Exact Mass 268.040545 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7SVcIF6ALjk
Name 4-METHYL-BENZOYL-ETHENE-SULFONYL-ACETIC-ACID
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H12O5S
InChI InChI=1S/C12H12O5S/c1-9-2-4-10(5-3-9)11(13)6-7-18(16,17)8-12(14)15/h2-7H,8H2,1H3,(H,14,15)/b7-6+
InChIKey KWDYTYRKODAZJE-VOTSOKGWSA-N
Literature Reference Author V.PADMAVATHI,A.V.N.MOHAN,K.MAHESH,A.PADMAJA
Literature Reference Citation CHEM.PHARM.BULL.,56,815(2008)
Literature Reference DOI 10.1248/cpb.56.815
Molecular Weight 268.284 g/mol
Sample ID 1770
Solvent CDCl3