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Valine, N-methyl-N-propoxycarbonyl-, propyl ester

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Valine, N-methyl-N-propoxycarbonyl-, propyl ester
SpectraBase Compound ID 7BF122G3Iba
InChI InChI=1S/C13H25NO4/c1-6-8-17-12(15)11(10(3)4)14(5)13(16)18-9-7-2/h10-11H,6-9H2,1-5H3
InChIKey HRFSALUZAUNSSI-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 ExWJ30AEsmp
Name Valine, N-methyl-N-propoxycarbonyl-, propyl 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/c1-6-8-17-12(15)11(10(3)4)14(5)13(16)18-9-7-2/h10-11H,6-9H2,1-5H3
InChIKey HRFSALUZAUNSSI-UHFFFAOYSA-N
Molecular Weight 259.346 g/mol
SMILES CCCOC(N(C(C(C)C)C(OCCC)=O)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.854421