| SpectraBase Spectrum ID |
E4dZQGBnsih |
| Name |
2-[1R-4,8,12-Trimethyl-3E,7E,11E-cyclotetradecatrien-1-yl]propenoic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
302.224580204 u |
| Formula |
C20H30O2 |
| InChI |
InChI=1S/C20H30O2/c1-15-7-5-9-16(2)11-13-19(18(4)20(21)22)14-12-17(3)10-6-8-15/h7,10-11,19H,4-6,8-9,12-14H2,1-3H3,(H,21,22)/b15-7+,16-11+,17-10+/t19-/m0/s1 |
| InChIKey |
HUQBQHDAVDLYEP-JLVMWRPASA-N |
| SMILES |
C(C(=O)O)([C@]1(C\C=C\(CC\C=C\(CC\C=C\(CC1)C)C)C)[H])=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931192 |
![2-[1R-4,8,12-Trimethyl-3E,7E,11E-cyclotetradecatrien-1-yl]propenoic acid](/api/spectrum/E4dZQGBnsih/structure.png?h=300&w=458 "2-[1R-4,8,12-Trimethyl-3E,7E,11E-cyclotetradecatrien-1-yl]propenoic acid")
