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L-Valine, N-propoxycarbonyl-, butyl ester

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L-Valine, N-propoxycarbonyl-, butyl ester
SpectraBase Compound ID JmNDckohbyN
InChI InChI=1S/C13H25NO4/c1-5-7-9-17-12(15)11(10(3)4)14-13(16)18-8-6-2/h10-11H,5-9H2,1-4H3,(H,14,16)
InChIKey GRVMWAVJQUBLEV-UHFFFAOYSA-N
Mol Weight 259.35 g/mol
Molecular Formula C13H25NO4
Exact Mass 259.178358 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FEjneiGkzR
Name L-Valine, N-propoxycarbonyl-, butyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 259.178358285 u
Formula C13H25NO4
InChI InChI=1S/C13H25NO4/c1-5-7-9-17-12(15)11(10(3)4)14-13(16)18-8-6-2/h10-11H,5-9H2,1-4H3,(H,14,16)
InChIKey GRVMWAVJQUBLEV-UHFFFAOYSA-N
Molecular Weight 259.346 g/mol
SMILES CCCOC(NC(C(C)C)C(OCCCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.840556