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L-Alanine, N-methoxycarbonyl-, propyl ester
SpectraBase Compound ID 7hRNQYq97Fe
InChI InChI=1S/C8H15NO4/c1-4-5-13-7(10)6(2)9-8(11)12-3/h6H,4-5H2,1-3H3,(H,9,11)
InChIKey YYULCALUFVDZRP-UHFFFAOYSA-N
Mol Weight 189.21 g/mol
Molecular Formula C8H15NO4
Exact Mass 189.100108 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FsNUFh2Wdjm
Name L-Alanine, N-methoxycarbonyl-, propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 189.100107963 u
Formula C8H15NO4
InChI InChI=1S/C8H15NO4/c1-4-5-13-7(10)6(2)9-8(11)12-3/h6H,4-5H2,1-3H3,(H,9,11)
InChIKey YYULCALUFVDZRP-UHFFFAOYSA-N
Molecular Weight 189.211 g/mol
SMILES COC(=O)NC(C)C(OCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.945948