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L-Alanine, N-butoxycarbonyl-, butyl ester

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L-Alanine, N-butoxycarbonyl-, butyl ester
SpectraBase Compound ID J6yN4JjzpoM
InChI InChI=1S/C12H23NO4/c1-4-6-8-16-11(14)10(3)13-12(15)17-9-7-5-2/h10H,4-9H2,1-3H3,(H,13,15)
InChIKey OZMOOZXSSWWOTM-UHFFFAOYSA-N
Mol Weight 245.32 g/mol
Molecular Formula C12H23NO4
Exact Mass 245.162708 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AFIdGmWea1k
Name L-Alanine, N-butoxycarbonyl-, butyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 245.162708221 u
Formula C12H23NO4
InChI InChI=1S/C12H23NO4/c1-4-6-8-16-11(14)10(3)13-12(15)17-9-7-5-2/h10H,4-9H2,1-3H3,(H,13,15)
InChIKey OZMOOZXSSWWOTM-UHFFFAOYSA-N
Molecular Weight 245.319 g/mol
SMILES CCCCOC(NC(C(OCCCC)=O)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.957477