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L-Methionine, N-isopropyloxycarbonyl-, isopropyl ester

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

L-Methionine, N-isopropyloxycarbonyl-, isopropyl ester
SpectraBase Compound ID HWtSIObykyF
InChI InChI=1S/C12H23NO4S/c1-8(2)16-11(14)10(6-7-18-5)13-12(15)17-9(3)4/h8-10H,6-7H2,1-5H3,(H,13,15)
InChIKey PMDORBYIMAAPQB-UHFFFAOYSA-N
Mol Weight 277.38 g/mol
Molecular Formula C12H23NO4S
Exact Mass 277.134779 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JGpjkw6TlkW
Name L-Methionine, N-isopropyloxycarbonyl-, isopropyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 277.134779395 u
Formula C12H23NO4S
InChI InChI=1S/C12H23NO4S/c1-8(2)16-11(14)10(6-7-18-5)13-12(15)17-9(3)4/h8-10H,6-7H2,1-5H3,(H,13,15)
InChIKey PMDORBYIMAAPQB-UHFFFAOYSA-N
Molecular Weight 277.379 g/mol
SMILES CSCCC(C(OC(C)C)=O)NC(OC(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.90178