| SpectraBase Spectrum ID |
2bk0uyrNNwd |
| Name |
15-Phenyl-pentadec-9-enoic acid, pyrrolidide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
369.303164879 u |
| Formula |
C25H39NO |
| InChI |
InChI=1S/C25H39NO/c27-25(26-22-16-17-23-26)21-15-10-8-6-4-2-1-3-5-7-9-12-18-24-19-13-11-14-20-24/h1,3,11,13-14,19-20H,2,4-10,12,15-18,21-23H2/b3-1+ |
| InChIKey |
OCUWCXIWWHCSPA-HNQUOIGGSA-N |
| Molecular Weight |
369.593 g/mol |
| SMILES |
C1(=CC=CC=C1)CCCCC\C=C\CCCCCCCC(N1CCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.896636 |
