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L-Valine, N-(3-methylbut-2-enoyl)-, isobutyl ester

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

L-Valine, N-(3-methylbut-2-enoyl)-, isobutyl ester
SpectraBase Compound ID 8IeI5NGkBSZ
InChI InChI=1S/C14H25NO3/c1-9(2)7-12(16)15-13(11(5)6)14(17)18-8-10(3)4/h7,10-11,13H,8H2,1-6H3,(H,15,16)
InChIKey RGZHFAFXRZUHEO-UHFFFAOYSA-N
Mol Weight 255.36 g/mol
Molecular Formula C14H25NO3
Exact Mass 255.183444 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 50KbFzghK3m
Name L-Valine, N-(3-methylbut-2-enoyl)-, isobutyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 255.183443666 u
Formula C14H25NO3
InChI InChI=1S/C14H25NO3/c1-9(2)7-12(16)15-13(11(5)6)14(17)18-8-10(3)4/h7,10-11,13H,8H2,1-6H3,(H,15,16)
InChIKey RGZHFAFXRZUHEO-UHFFFAOYSA-N
Molecular Weight 255.358 g/mol
SMILES C(C(C)C)(C(=O)OCC(C)C)NC(=O)C=C(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.828381