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2-Methyl-3-p-tolylalanine, hydrochloride

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

2-Methyl-3-p-tolylalanine, hydrochloride
SpectraBase Compound ID 6JcsKMFbH8G
InChI InChI=1S/C11H15NO2.ClH/c1-8-3-5-9(6-4-8)7-11(2,12)10(13)14;/h3-6H,7,12H2,1-2H3,(H,13,14);1H
InChIKey KVBLQPBNISTENM-UHFFFAOYSA-N
Mol Weight 229.71 g/mol
Molecular Formula C11H16ClNO2
Exact Mass 229.086956 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID JTHKUOXGdA7
Name 2-Methyl-3-p-tolylalanine, hydrochloride
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 229.086956457 u
Formula C11H16ClNO2
InChI InChI=1S/C11H15NO2.ClH/c1-8-3-5-9(6-4-8)7-11(2,12)10(13)14;/h3-6H,7,12H2,1-2H3,(H,13,14);1H
InChIKey KVBLQPBNISTENM-UHFFFAOYSA-N
Molecular Weight 229.707 g/mol
SMILES [NH3+]C(CC1=CC=C(C=C1)C)(C)C(=O)[O-].Cl
Spectrum/Structure Validation Score (Raman) 0.943448