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4-CHLORO-BENZOYL-ETHENE-SULFONYL-ACETIC-ACID-METHYLESTER
SpectraBase Compound ID I6KaiWHKlRB
InChI InChI=1S/C12H11ClO5S/c1-18-12(15)8-19(16,17)7-6-11(14)9-2-4-10(13)5-3-9/h2-7H,8H2,1H3/b7-6+
InChIKey HHCHPAKWOXSDNO-VOTSOKGWSA-N
Mol Weight 302.73 g/mol
Molecular Formula C12H11ClO5S
Exact Mass 302.001572 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID e4259WJIQn
Name 4-CHLORO-BENZOYL-ETHENE-SULFONYL-ACETIC-ACID-METHYLESTER
Compound Number 4C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H11ClO5S
InChI InChI=1S/C12H11ClO5S/c1-18-12(15)8-19(16,17)7-6-11(14)9-2-4-10(13)5-3-9/h2-7H,8H2,1H3/b7-6+
InChIKey HHCHPAKWOXSDNO-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 302.729 g/mol
Sample ID 1774
Solvent CDCl3