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 |