| SpectraBase Spectrum ID |
Kart4Oy8Vqv |
| Name |
Cyclopent-2-enyltridec-6-enoic acid, dmox derivative |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
331.287514814 u |
| Formula |
C22H37NO |
| InChI |
InChI=1S/C22H37NO/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/h4,6,13,16,20H,3,5,7-12,14-15,17-19H2,1-2H3/b6-4- |
| InChIKey |
ZAQLTMVVOUTXMG-XQRVVYSFSA-N |
| Molecular Weight |
331.544 g/mol |
| SMILES |
C1(C=CCC1)CCCCCC\C=C/CCCCC=1OCC(N1)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953803 |
