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Benzoic acid, 2-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-

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

Benzoic acid, 2-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-
SpectraBase Compound ID 6PfmRBtzmoP
InChI InChI=1S/C12H13NO3/c1-12(2)7-16-10(13-12)8-5-3-4-6-9(8)11(14)15/h3-6H,7H2,1-2H3,(H,14,15)
InChIKey PJRVOEDDAAUNNK-UHFFFAOYSA-N
Mol Weight 219.24 g/mol
Molecular Formula C12H13NO3
Exact Mass 219.089543 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 2ssq2Ax9zZI
Name Benzoic acid, 2-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 219.089543280 u
Formula C12H13NO3
InChI InChI=1S/C12H13NO3/c1-12(2)7-16-10(13-12)8-5-3-4-6-9(8)11(14)15/h3-6H,7H2,1-2H3,(H,14,15)
InChIKey PJRVOEDDAAUNNK-UHFFFAOYSA-N
Molecular Weight 219.240 g/mol
SMILES OC(C1=C(C=CC=C1)C=1OCC(N1)(C)C)=O
Spectrum/Structure Validation Score (Raman) 0.811024