| SpectraBase Spectrum ID |
6DTKafmPF4G |
| Name |
1,3-Benzenediol, 5-(10-nonadecenyl)-, (Z)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
374.318480590 u |
| Formula |
C25H42O2 |
| InChI |
InChI=1S/C25H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-20-24(26)22-25(27)21-23/h9-10,20-22,26-27H,2-8,11-19H2,1H3/b10-9- |
| InChIKey |
KQGVEZGOGSMUMX-KTKRTIGZSA-N |
| Molecular Weight |
374.609 g/mol |
| SMILES |
C1(=CC(=CC(=C1)CCCCCCCCC\C=C/CCCCCCCC)O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.849751 |
