| SpectraBase Spectrum ID |
1tj5C6DymY5 |
| Name |
L-Alanine, N-octanoyl-, dodecyl 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/c1-4-6-8-10-11-12-13-14-16-18-20-27-23(26)21(3)24-22(25)19-17-15-9-7-5-2/h21H,4-20H2,1-3H3,(H,24,25) |
| InChIKey |
XHFPCESUXCGRCQ-UHFFFAOYSA-N |
| Molecular Weight |
383.617 g/mol |
| SMILES |
CCCCCCCC(NC(C)C(OCCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949537 |
