| SpectraBase Spectrum ID |
3LKQY25jgo7 |
| Name |
2'-(1-Methyl-1-cyclohexen-3-yl)-5'-(1,1-dimethylheptyl)-1'-methylresorcinol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
344.271530397 u |
| Formula |
C23H36O2 |
| InChI |
InChI=1S/C23H36O2/c1-6-7-8-9-13-23(3,4)19-15-20(24)22(21(16-19)25-5)18-12-10-11-17(2)14-18/h14-16,18,24H,6-13H2,1-5H3 |
| InChIKey |
LUVQCWIMSVWVIQ-UHFFFAOYSA-N |
| Molecular Weight |
344.539 g/mol |
| SMILES |
C=1(C(=CC(=CC1OC)C(CCCCCC)(C)C)O)C1C=C(C)CCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.904687 |
