| SpectraBase Spectrum ID |
8vn3Hwi7SjK |
| Name |
L-Valine, N-methoxycarbonyl-, isohexyl 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/c1-9(2)7-6-8-18-12(15)11(10(3)4)14-13(16)17-5/h9-11H,6-8H2,1-5H3,(H,14,16) |
| InChIKey |
SLMRLKRUDVBNQI-UHFFFAOYSA-N |
| Molecular Weight |
259.346 g/mol |
| SMILES |
COC(NC(C(OCCCC(C)C)=O)C(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.860229 |
