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BENZOYL-ETHENE-MERCAPTO-ACETIC-ACID

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BENZOYL-ETHENE-MERCAPTO-ACETIC-ACID
SpectraBase Compound ID 3ajwytlnxJg
InChI InChI=1S/C11H10O3S/c12-10(6-7-15-8-11(13)14)9-4-2-1-3-5-9/h1-7H,8H2,(H,13,14)/b7-6+
InChIKey KPASFIYSOZVEGA-VOTSOKGWSA-N
Mol Weight 222.26 g/mol
Molecular Formula C11H10O3S
Exact Mass 222.035065 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kchs51SBXyU
Name BENZOYL-ETHENE-MERCAPTO-ACETIC-ACID
Compound Number 2A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H10O3S
InChI InChI=1S/C11H10O3S/c12-10(6-7-15-8-11(13)14)9-4-2-1-3-5-9/h1-7H,8H2,(H,13,14)/b7-6+
InChIKey KPASFIYSOZVEGA-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 222.259 g/mol
Sample ID 1766
Solvent CDCl3