| SpectraBase Spectrum ID |
3XIGavoZV21 |
| Name |
13-Cyclopent-2-enyltridecanoic acid, dmox derivative |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
333.303164879 u |
| Formula |
C22H39NO |
| InChI |
InChI=1S/C22H39NO/c1-22(2)19-24-21(23-22)18-12-10-8-6-4-3-5-7-9-11-15-20-16-13-14-17-20/h13,16,20H,3-12,14-15,17-19H2,1-2H3 |
| InChIKey |
IKFBFTUIANHMSZ-UHFFFAOYSA-N |
| Molecular Weight |
333.560 g/mol |
| SMILES |
C1(C=CCC1)CCCCCCCCCCCCC=1OCC(N1)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.813798 |
