| SpectraBase Spectrum ID |
LrkldvpHDe3 |
| Name |
dl-Valine, N-methyl-N-(vinyloxycarbonyl)-, octadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
453.381809122 u |
| Formula |
C27H51NO4 |
| InChI |
InChI=1S/C27H51NO4/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-32-26(29)25(24(3)4)28(5)27(30)31-7-2/h7,24-25H,2,6,8-23H2,1,3-5H3 |
| InChIKey |
LLHCMBZSFWRQGE-UHFFFAOYSA-N |
| Molecular Weight |
453.708 g/mol |
| SMILES |
C(C(C(OCCCCCCCCCCCCCCCCCC)=O)N(C)C(=O)OC=C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.923552 |
