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L-Norvaline, N-butoxycarbonyl-, ethyl ester

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

L-Norvaline, N-butoxycarbonyl-, ethyl ester
SpectraBase Compound ID 97LKOCrHvKM
InChI InChI=1S/C12H23NO4/c1-4-7-9-17-12(15)13-10(8-5-2)11(14)16-6-3/h10H,4-9H2,1-3H3,(H,13,15)
InChIKey NLKNCZZOOBSECJ-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 9zZQbYSvsgP
Name L-Norvaline, N-butoxycarbonyl-, ethyl 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/c1-4-7-9-17-12(15)13-10(8-5-2)11(14)16-6-3/h10H,4-9H2,1-3H3,(H,13,15)
InChIKey NLKNCZZOOBSECJ-UHFFFAOYSA-N
Molecular Weight 245.319 g/mol
SMILES CCCCOC(NC(CCC)C(OCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.951796