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L-Methionine, N-(2-chlorobenzoyl)-, methyl ester

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

L-Methionine, N-(2-chlorobenzoyl)-, methyl ester
SpectraBase Compound ID HGsXkflLi51
InChI InChI=1S/C13H16ClNO3S/c1-18-13(17)11(7-8-19-2)15-12(16)9-5-3-4-6-10(9)14/h3-6,11H,7-8H2,1-2H3,(H,15,16)
InChIKey VTGMWNUUHTXXLY-UHFFFAOYSA-N
Mol Weight 301.79 g/mol
Molecular Formula C13H16ClNO3S
Exact Mass 301.053942 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9TGV2d3o7xt
Name L-Methionine, N-(2-chlorobenzoyl)-, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 301.053942250 u
Formula C13H16ClNO3S
InChI InChI=1S/C13H16ClNO3S/c1-18-13(17)11(7-8-19-2)15-12(16)9-5-3-4-6-10(9)14/h3-6,11H,7-8H2,1-2H3,(H,15,16)
InChIKey VTGMWNUUHTXXLY-UHFFFAOYSA-N
SMILES C1=CC(=C(C=C1)C(NC(CCSC)C(OC)=O)=O)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.814251