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3-[[3'-Carboxybenzyl)thio]methyl]benzoic Acid

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3-[[3'-Carboxybenzyl)thio]methyl]benzoic Acid
SpectraBase Compound ID DQBd97p5RFj
InChI InChI=1S/C16H14O4S/c17-15(18)13-5-1-3-11(7-13)9-21-10-12-4-2-6-14(8-12)16(19)20/h1-8H,9-10H2,(H,17,18)(H,19,20)
InChIKey SLGFGDGPGUCEQB-UHFFFAOYSA-N
Mol Weight 302.34 g/mol
Molecular Formula C16H14O4S
Exact Mass 302.06128 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4ndXxKxjlno
Name 3-[[(3'-CARBOXYBENZYL)-THIO]-METHYL]-BENZOIC-ACID
Compound Number 10
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H14O4S
InChI InChI=1S/C16H14O4S/c17-15(18)13-5-1-3-11(7-13)9-21-10-12-4-2-6-14(8-12)16(19)20/h1-8H,9-10H2,(H,17,18)(H,19,20)
InChIKey SLGFGDGPGUCEQB-UHFFFAOYSA-N
Literature Reference Author G.A.REED,D.R.DIMMEL,E.W.MALCOLM
Literature Reference Citation J.ORG.CHEM.,58,6372(1993)
Literature Reference DOI 10.1021/jo00075a035
Molecular Weight 302.345 g/mol
Solvent DMSO-D6
Source File Reference UWGE5135