| SpectraBase Spectrum ID |
84qPsifJ91a |
| Name |
.beta.-Alanine, N-capryloyl-, nonyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
341.292994117 u |
| Formula |
C20H39NO3 |
| InChI |
InChI=1S/C20H39NO3/c1-3-5-7-9-10-12-14-18-24-20(23)16-17-21-19(22)15-13-11-8-6-4-2/h3-18H2,1-2H3,(H,21,22) |
| InChIKey |
JKHDYLJCIZHMEW-UHFFFAOYSA-N |
| Molecular Weight |
341.536 g/mol |
| SMILES |
CCCCCCCC(NCCC(OCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961192 |
