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L-Valine, N-neopentyloxycarbonyl-, ethyl ester

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

L-Valine, N-neopentyloxycarbonyl-, ethyl ester
SpectraBase Compound ID 8EW0dfK7jar
InChI InChI=1S/C13H25NO4/c1-7-17-11(15)10(9(2)3)14-12(16)18-8-13(4,5)6/h9-10H,7-8H2,1-6H3,(H,14,16)
InChIKey BEONNADRTVCZRR-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 ApKdM35rMyB
Name L-Valine, N-neopentyloxycarbonyl-, ethyl 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/c1-7-17-11(15)10(9(2)3)14-12(16)18-8-13(4,5)6/h9-10H,7-8H2,1-6H3,(H,14,16)
InChIKey BEONNADRTVCZRR-UHFFFAOYSA-N
Molecular Weight 259.346 g/mol
SMILES CCOC(C(NC(OCC(C)(C)C)=O)C(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.865936