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Benzoic acid methyl ester

View entire compound with spectra: 129 NMR, 18 FTIR, 1 Raman, 54 MS (GC), and 2 Near IR

Benzoic acid methyl ester
SpectraBase Compound ID 7bPhkdZ84yU
InChI InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3
InChIKey QPJVMBTYPHYUOC-UHFFFAOYSA-N
Mol Weight 136.15 g/mol
Molecular Formula C8H8O2
Exact Mass 136.052429 g/mol

17O Nuclear Magnetic Resonance (NMR) Chemical Shifts

17O Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ffr5ly2HiP2
Name METHYLBENZOATE;BENZOIC-ACID,METHYLESTER
CAS Registry Number 93-58-3
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H8O2
InChI InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3
InChIKey QPJVMBTYPHYUOC-UHFFFAOYSA-N
Literature Reference Author D.MONTI,F.ORSINI,G.S.RICCA
Literature Reference Citation SPECTROSC.LETT.,19,91(1986)
Literature Reference DOI 10.1080/00387018608069223
Solvent CDCl3
Source File Reference UNIO561