| SpectraBase Spectrum ID |
KgD8IJdQCEY |
| Name |
.beta.-Alanine, N-caproyl-, pentadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
397.355594374 u |
| Formula |
C24H47NO3 |
| InChI |
InChI=1S/C24H47NO3/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-22-28-24(27)20-21-25-23(26)19-17-6-4-2/h3-22H2,1-2H3,(H,25,26) |
| InChIKey |
SKUCVAYUGSXBBO-UHFFFAOYSA-N |
| Molecular Weight |
397.644 g/mol |
| SMILES |
CCCCCC(NCCC(OCCCCCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.91342 |
