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5-BENZOXYPENTANOIC-ACID

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5-BENZOXYPENTANOIC-ACID
SpectraBase Compound ID JuwfyJwvMn8
InChI InChI=1S/C12H16O3/c13-12(14)8-4-5-9-15-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H,13,14)
InChIKey MXXWSDBAURXMNQ-UHFFFAOYSA-N
Mol Weight 208.26 g/mol
Molecular Formula C12H16O3
Exact Mass 208.109944 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 77b4lIhjhrq
Name 5-BENZOXYPENTANOIC-ACID
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H16O3
InChI InChI=1S/C12H16O3/c13-12(14)8-4-5-9-15-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H,13,14)
InChIKey MXXWSDBAURXMNQ-UHFFFAOYSA-N
Literature Reference Author Y.TAKASHIMA,M.OSAKI,A.HARADA
Literature Reference Citation J.AM.CHEM.SOC.,126,13588(2004)
Literature Reference DOI 10.1021/ja047171e
Molecular Weight 208.257 g/mol
Solvent DMSO-D6
Source File Reference UWLU34706