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L-Norvaline, N-butoxycarbonyl-, isohexyl ester

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

L-Norvaline, N-butoxycarbonyl-, isohexyl ester
SpectraBase Compound ID E3UNZInyr69
InChI InChI=1S/C16H31NO4/c1-5-7-11-21-16(19)17-14(9-6-2)15(18)20-12-8-10-13(3)4/h13-14H,5-12H2,1-4H3,(H,17,19)
InChIKey PCHOBUXZKLAFKM-UHFFFAOYSA-N
Mol Weight 301.43 g/mol
Molecular Formula C16H31NO4
Exact Mass 301.225308 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID I0XBjNjkbaK
Name L-Norvaline, N-butoxycarbonyl-, isohexyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 301.225308478 u
Formula C16H31NO4
InChI InChI=1S/C16H31NO4/c1-5-7-11-21-16(19)17-14(9-6-2)15(18)20-12-8-10-13(3)4/h13-14H,5-12H2,1-4H3,(H,17,19)
InChIKey PCHOBUXZKLAFKM-UHFFFAOYSA-N
SMILES CCCCOC(NC(CCC)C(OCCCC(C)C)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.829135