| SpectraBase Spectrum ID |
DLFd38tZ17m |
| Name |
dl-Valine, N-methyl-N-(vinyloxycarbonyl)-, heptadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
439.366159058 u |
| Formula |
C26H49NO4 |
| InChI |
InChI=1S/C26H49NO4/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-31-25(28)24(23(3)4)27(5)26(29)30-7-2/h7,23-24H,2,6,8-22H2,1,3-5H3 |
| InChIKey |
CUFIGGNDHUDYOP-UHFFFAOYSA-N |
| Molecular Weight |
439.681 g/mol |
| SMILES |
C(C(C(OCCCCCCCCCCCCCCCCC)=O)N(C)C(=O)OC=C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.906251 |
