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Valine, N-methyl-N-allyloxycarbonyl-, isohexyl ester

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

Valine, N-methyl-N-allyloxycarbonyl-, isohexyl ester
SpectraBase Compound ID kKZhk58RlF
InChI InChI=1S/C16H29NO4/c1-7-10-21-16(19)17(6)14(13(4)5)15(18)20-11-8-9-12(2)3/h7,12-14H,1,8-11H2,2-6H3
InChIKey ZHQUNUCNBARJIO-UHFFFAOYSA-N
Mol Weight 299.41 g/mol
Molecular Formula C16H29NO4
Exact Mass 299.209658 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID D3QZ3PWGBqy
Name Valine, N-methyl-N-allyloxycarbonyl-, isohexyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 299.209658414 u
Formula C16H29NO4
InChI InChI=1S/C16H29NO4/c1-7-10-21-16(19)17(6)14(13(4)5)15(18)20-11-8-9-12(2)3/h7,12-14H,1,8-11H2,2-6H3
InChIKey ZHQUNUCNBARJIO-UHFFFAOYSA-N
SMILES C=CCOC(N(C(C(OCCCC(C)C)=O)C(C)C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.800508