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5-Methyl-2,3-dihydrobenzofuran-2-carboxylic acid

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

5-Methyl-2,3-dihydrobenzofuran-2-carboxylic acid
SpectraBase Compound ID KCauYrl1b8z
InChI InChI=1S/C10H10O3/c1-6-2-3-8-7(4-6)5-9(13-8)10(11)12/h2-4,9H,5H2,1H3,(H,11,12)
InChIKey RJSBBXVFJHTACN-UHFFFAOYSA-N
Mol Weight 178.19 g/mol
Molecular Formula C10H10O3
Exact Mass 178.062994 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID I52wox4e8Tr
Name 5-Methyl-2,3-dihydrobenzofuran-2-carboxylic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 178.062994179 u
Formula C10H10O3
InChI InChI=1S/C10H10O3/c1-6-2-3-8-7(4-6)5-9(13-8)10(11)12/h2-4,9H,5H2,1H3,(H,11,12)
InChIKey RJSBBXVFJHTACN-UHFFFAOYSA-N
Molecular Weight 178.187 g/mol
SMILES C1(OC=2C(C1)=CC(=CC2)C)C(=O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.903009