| SpectraBase Spectrum ID |
2XqIJR6M7KM |
| Name |
dl-Valine, N-methyl-N-(vinyloxycarbonyl)-, dodecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
369.287908736 u |
| Formula |
C21H39NO4 |
| InChI |
InChI=1S/C21H39NO4/c1-6-8-9-10-11-12-13-14-15-16-17-26-20(23)19(18(3)4)22(5)21(24)25-7-2/h7,18-19H,2,6,8-17H2,1,3-5H3 |
| InChIKey |
WGDKZYPYFSBECB-UHFFFAOYSA-N |
| Molecular Weight |
369.546 g/mol |
| SMILES |
C(C(C(OCCCCCCCCCCCC)=O)N(C)C(=O)OC=C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.876515 |
