| SpectraBase Spectrum ID |
4Aqmu8s5RaC |
| Name |
.beta.-Alanine, N-benzyloxycarbonyl-, pentadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
433.319208865 u |
| Formula |
C26H43NO4 |
| InChI |
InChI=1S/C26H43NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-22-30-25(28)20-21-27-26(29)31-23-24-18-15-14-16-19-24/h14-16,18-19H,2-13,17,20-23H2,1H3,(H,27,29) |
| InChIKey |
DIDFAKMSIPNPTH-UHFFFAOYSA-N |
| Molecular Weight |
433.633 g/mol |
| SMILES |
C1=CC=CC=C1COC(NCCC(OCCCCCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.808079 |
