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5,5-Dimethyl-2-phenyl-2-thiazoline-4-carboxylic acid

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

5,5-Dimethyl-2-phenyl-2-thiazoline-4-carboxylic acid
SpectraBase Compound ID 9b4HIZ7OuVA
InChI InChI=1S/C12H13NO2S/c1-12(2)9(11(14)15)13-10(16-12)8-6-4-3-5-7-8/h3-7,9H,1-2H3,(H,14,15)
InChIKey LMDMMKVXSHZKMI-UHFFFAOYSA-N
Mol Weight 235.3 g/mol
Molecular Formula C12H13NO2S
Exact Mass 235.0667 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID JuB7xVQrltE
Name 5,5-Dimethyl-2-phenyl-2-thiazoline-4-carboxylic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 235.066699835 u
Formula C12H13NO2S
InChI InChI=1S/C12H13NO2S/c1-12(2)9(11(14)15)13-10(16-12)8-6-4-3-5-7-8/h3-7,9H,1-2H3,(H,14,15)
InChIKey LMDMMKVXSHZKMI-UHFFFAOYSA-N
Molecular Weight 235.301 g/mol
SMILES OC(C1C(SC(=N1)C1=CC=CC=C1)(C)C)=O
Spectrum/Structure Validation Score (Raman) 0.977054