| SpectraBase Spectrum ID |
LMqc0KSWX9b |
| Name |
L-Alanine, N-(3-phenylpropionyl)-, undec-10-enyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
373.261693988 u |
| Formula |
C23H35NO3 |
| InChI |
InChI=1S/C23H35NO3/c1-3-4-5-6-7-8-9-10-14-19-27-23(26)20(2)24-22(25)18-17-21-15-12-11-13-16-21/h3,11-13,15-16,20H,1,4-10,14,17-19H2,2H3,(H,24,25) |
| InChIKey |
LBNDMEXGPDAJSW-UHFFFAOYSA-N |
| Molecular Weight |
373.537 g/mol |
| SMILES |
C1=CC=CC=C1CCC(NC(C(OCCCCCCCCCC=C)=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.822625 |
