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2-Phenoxymethyl-4-thiophen-carboxylic-acid
SpectraBase Compound ID 7NvwEev6DWl
InChI InChI=1S/C12H10O3S/c13-12(14)9-6-11(16-8-9)7-15-10-4-2-1-3-5-10/h1-6,8H,7H2,(H,13,14)
InChIKey NJTMBWWSHIOIOP-UHFFFAOYSA-N
Mol Weight 234.27 g/mol
Molecular Formula C12H10O3S
Exact Mass 234.035065 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F5a8hgqov4V
Name 2-PHENOXYMETHYL-4-THIOPHEN-CARBOXYLIC-ACID
CAS Registry Number 61854-99-7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H10O3S
InChI InChI=1S/C12H10O3S/c13-12(14)9-6-11(16-8-9)7-15-10-4-2-1-3-5-10/h1-6,8H,7H2,(H,13,14)
InChIKey NJTMBWWSHIOIOP-UHFFFAOYSA-N
Literature Reference Author A.PERJESSY,M.JANDA,D.W.BOYKIN
Literature Reference Citation J.ORG.CHEM.,45,1366(1980)
Literature Reference DOI 10.1021/jo01296a004
Molecular Weight 234.270 g/mol
Solvent DMSO-D6
Source File Reference UNIW18704