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3-(3-Chloro-4-fluorophenyl)alanine, hydrochloride

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

3-(3-Chloro-4-fluorophenyl)alanine, hydrochloride
SpectraBase Compound ID JqBlyBhZRUZ
InChI InChI=1S/C9H9ClFNO2.ClH/c10-6-3-5(1-2-7(6)11)4-8(12)9(13)14;/h1-3,8H,4,12H2,(H,13,14);1H
InChIKey DUZJLGOZHYAJQE-UHFFFAOYSA-N
Mol Weight 254.09 g/mol
Molecular Formula C9H10Cl2FNO2
Exact Mass 253.007262 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID BaIdulSVkCt
Name 3-(3-Chloro-4-fluorophenyl)alanine, hydrochloride
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 253.007262127 u
Formula C9H10Cl2FNO2
InChI InChI=1S/C9H9ClFNO2.ClH/c10-6-3-5(1-2-7(6)11)4-8(12)9(13)14;/h1-3,8H,4,12H2,(H,13,14);1H
InChIKey DUZJLGOZHYAJQE-UHFFFAOYSA-N
Molecular Weight 254.088 g/mol
SMILES Cl.OC(C(CC1=CC=C(C(=C1)Cl)F)N)=O
Spectrum/Structure Validation Score (Raman) 0.776883