| SpectraBase Spectrum ID |
3vSmCgGUGHd |
| Name |
Z-5-Methyl-6-heneicosen-11-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
322.323565971 u |
| Formula |
C22H42O |
| InChI |
InChI=1S/C22H42O/c1-4-6-8-9-10-11-12-15-19-22(23)20-16-13-14-18-21(3)17-7-5-2/h14,18,21H,4-13,15-17,19-20H2,1-3H3/b18-14- |
| InChIKey |
YVHMYAXTGNQAFL-JXAWBTAJSA-N |
| Molecular Weight |
322.577 g/mol |
| SMILES |
C(CCC(CCC\C=C/C(CCCC)C)=O)CCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.917212 |
