| SpectraBase Spectrum ID |
2SBXs06GGRV |
| Name |
.beta.-Alanine, N-(4-butylbenzoyl)-, nonyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
375.277344052 u |
| Formula |
C23H37NO3 |
| InChI |
InChI=1S/C23H37NO3/c1-3-5-7-8-9-10-11-19-27-22(25)17-18-24-23(26)21-15-13-20(14-16-21)12-6-4-2/h13-16H,3-12,17-19H2,1-2H3,(H,24,26) |
| InChIKey |
ZGWSNVLLTRVKSD-UHFFFAOYSA-N |
| Molecular Weight |
375.553 g/mol |
| SMILES |
C1=CC(=CC=C1CCCC)C(NCCC(OCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.854427 |
