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Benzyl-L-methionine, methyl ester

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

Benzyl-L-methionine, methyl ester
SpectraBase Compound ID 3gtcpc860FZ
InChI InChI=1S/C13H19NO2S/c1-16-13(15)12(8-9-17-2)14-10-11-6-4-3-5-7-11/h3-7,12,14H,8-10H2,1-2H3
InChIKey ZGQZCDGDRNGRMN-UHFFFAOYSA-N
Mol Weight 253.36 g/mol
Molecular Formula C13H19NO2S
Exact Mass 253.11365 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Lv4SDR1DPkj
Name Benzyl-L-methionine, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 253.113650028 u
Formula C13H19NO2S
InChI InChI=1S/C13H19NO2S/c1-16-13(15)12(8-9-17-2)14-10-11-6-4-3-5-7-11/h3-7,12,14H,8-10H2,1-2H3
InChIKey ZGQZCDGDRNGRMN-UHFFFAOYSA-N
Molecular Weight 253.360 g/mol
SMILES C1(=CC=CC=C1)CNC(CCSC)C(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.921862