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Phenacetic acid, 2-carboxy-, methyl(ester)

View entire compound with spectra: 1 NMR, and 1 FTIR

Phenacetic acid, 2-carboxy-, methyl(ester)
SpectraBase Compound ID ExYSnaXcUwz
InChI InChI=1S/C10H10O4/c1-14-9(11)6-7-4-2-3-5-8(7)10(12)13/h2-5H,6H2,1H3,(H,12,13)
InChIKey UKPMFGARCZOXDI-UHFFFAOYSA-N
Mol Weight 194.19 g/mol
Molecular Formula C10H10O4
Exact Mass 194.057909 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FWwpzysZcD8
Name Phenacetic acid, 2-carboxy-, methyl(ester)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 194.057908798 u
Formula C10H10O4
InChI InChI=1S/C10H10O4/c1-14-9(11)6-7-4-2-3-5-8(7)10(12)13/h2-5H,6H2,1H3,(H,12,13)
InChIKey UKPMFGARCZOXDI-UHFFFAOYSA-N
Molecular Weight 194.186 g/mol
SMILES C1(=C(C=CC=C1)CC(OC)=O)C(=O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.974243