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4-(METHYLSULFONYL)-BENZOIC-ACID-2-PYRIDINYLMETHYLESTER
SpectraBase Compound ID 5rQs9YCBFUC
InChI InChI=1S/C14H13NO4S/c1-20(17,18)13-7-5-11(6-8-13)14(16)19-10-12-4-2-3-9-15-12/h2-9H,10H2,1H3
InChIKey NXHURUZHZXQPRH-UHFFFAOYSA-N
Mol Weight 291.32 g/mol
Molecular Formula C14H13NO4S
Exact Mass 291.056529 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5WYoYcLgQsZ
Name 4-(METHYLSULFONYL)-BENZOIC-ACID-2-PYRIDINYLMETHYLESTER
Compound Number 4H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H13NO4S
InChI InChI=1S/C14H13NO4S/c1-20(17,18)13-7-5-11(6-8-13)14(16)19-10-12-4-2-3-9-15-12/h2-9H,10H2,1H3
InChIKey NXHURUZHZXQPRH-UHFFFAOYSA-N
Literature Reference Author N.CHATANI,H.TATAMIDANI,Y.IE,F.KAKIUCHI,S.MURAI
Literature Reference Citation J.AM.CHEM.SOC.,123,4849(2001)
Literature Reference DOI 10.1021/ja0103501
Molecular Weight 291.322 g/mol
Solvent CDCl3
Source File Reference UWVN27880