| SpectraBase Spectrum ID |
1tF6JpCZ5G5 |
| Name |
dl-Valine, N-methyl-N-(vinyloxycarbonyl)-, pentadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
411.334858929 u |
| Formula |
C24H45NO4 |
| InChI |
InChI=1S/C24H45NO4/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-29-23(26)22(21(3)4)25(5)24(27)28-7-2/h7,21-22H,2,6,8-20H2,1,3-5H3 |
| InChIKey |
QPDGFZYPUQZUIJ-UHFFFAOYSA-N |
| Molecular Weight |
411.627 g/mol |
| SMILES |
C(C(C(OCCCCCCCCCCCCCCC)=O)N(C)C(=O)OC=C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.892844 |
