| SpectraBase Spectrum ID |
BufQ1Zb6cTo |
| Name |
.beta.-Alanine, N-(3-fluorobenzoyl)-, pentadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
421.299222312 u |
| Formula |
C25H40FNO3 |
| InChI |
InChI=1S/C25H40FNO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-30-24(28)18-19-27-25(29)22-16-15-17-23(26)21-22/h15-17,21H,2-14,18-20H2,1H3,(H,27,29) |
| InChIKey |
FAXNTBJKMVVXAL-UHFFFAOYSA-N |
| Molecular Weight |
421.597 g/mol |
| SMILES |
C1=C(C=CC=C1C(NCCC(OCCCCCCCCCCCCCCC)=O)=O)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.860629 |
