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L-Methionine, N-allyloxycarbonyl-, butyl ester

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

L-Methionine, N-allyloxycarbonyl-, butyl ester
SpectraBase Compound ID Gn6A8qiyrwz
InChI InChI=1S/C13H23NO4S/c1-4-6-9-17-12(15)11(7-10-19-3)14-13(16)18-8-5-2/h5,11H,2,4,6-10H2,1,3H3,(H,14,16)
InChIKey ABBKVKLXQXUSKP-UHFFFAOYSA-N
Mol Weight 289.39 g/mol
Molecular Formula C13H23NO4S
Exact Mass 289.134779 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HsX0VS37xTR
Name L-Methionine, N-allyloxycarbonyl-, butyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 289.134779395 u
Formula C13H23NO4S
InChI InChI=1S/C13H23NO4S/c1-4-6-9-17-12(15)11(7-10-19-3)14-13(16)18-8-5-2/h5,11H,2,4,6-10H2,1,3H3,(H,14,16)
InChIKey ABBKVKLXQXUSKP-UHFFFAOYSA-N
SMILES C=CCOC(NC(C(OCCCC)=O)CCSC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.84596