| SpectraBase Spectrum ID |
7Vo1e5BpUN6 |
| Name |
(Z)-1-Mono-13-docosenoin |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
412.355260022 u |
| Formula |
C25H48O4 |
| InChI |
InChI=1S/C25H48O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)29-23-24(27)22-26/h9-10,24,26-27H,2-8,11-23H2,1H3/b10-9- |
| InChIKey |
ZXNAIPHYBVMMPY-KTKRTIGZSA-N |
| Molecular Weight |
412.655 g/mol |
| SMILES |
OCC(COC(CCCCCCCCCCC\C=C/CCCCCCCC)=O)O |
| Spectrum/Structure Validation Score (Raman) |
0.995265 |
