| SpectraBase Spectrum ID |
8B9SKDi7lXg |
| Name |
.beta.-Alanine, N-isobutyryl-, hexadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
383.339944310 u |
| Formula |
C23H45NO3 |
| InChI |
InChI=1S/C23H45NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27-22(25)18-19-24-23(26)21(2)3/h21H,4-20H2,1-3H3,(H,24,26) |
| InChIKey |
KBFKGMGKZVLMFL-UHFFFAOYSA-N |
| Molecular Weight |
383.617 g/mol |
| SMILES |
CC(C)C(NCCC(OCCCCCCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.945346 |
