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L-Norvaline, N-propoxycarbonyl-, isohexyl ester

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

L-Norvaline, N-propoxycarbonyl-, isohexyl ester
SpectraBase Compound ID 3pCnVNp0S03
InChI InChI=1S/C15H29NO4/c1-5-8-13(16-15(18)20-10-6-2)14(17)19-11-7-9-12(3)4/h12-13H,5-11H2,1-4H3,(H,16,18)
InChIKey GKCHBDRPIZCEJQ-UHFFFAOYSA-N
Mol Weight 287.4 g/mol
Molecular Formula C15H29NO4
Exact Mass 287.209658 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ECwT8VFg8f7
Name L-Norvaline, N-propoxycarbonyl-, isohexyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 287.209658414 u
Formula C15H29NO4
InChI InChI=1S/C15H29NO4/c1-5-8-13(16-15(18)20-10-6-2)14(17)19-11-7-9-12(3)4/h12-13H,5-11H2,1-4H3,(H,16,18)
InChIKey GKCHBDRPIZCEJQ-UHFFFAOYSA-N
SMILES CCCOC(NC(CCC)C(OCCCC(C)C)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.884704