| SpectraBase Spectrum ID |
Bsci4hWZLA4 |
| Name |
(1Z,4R,7E,11E)-4-Isopropenyl-7,11-dimethyl-cyclotetradeca-1,7,11-triene-1-carboxylic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
330.255880333 u |
| Formula |
C22H34O2 |
| InChI |
InChI=1S/C22H34O2/c1-6-24-22(23)21-12-8-11-18(4)9-7-10-19(5)13-14-20(15-16-21)17(2)3/h10-11,16,20H,2,6-9,12-15H2,1,3-5H3/b18-11+,19-10+,21-16-/t20-/m1/s1 |
| InChIKey |
QIMSTYKOICTFGJ-NOHQPIMQSA-N |
| Molecular Weight |
330.512 g/mol |
| SMILES |
C(\C1=C/C[C@](C(=C)C)(CC\C(=C\CC\C(=C\CC1)C)C)[H])(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963717 |
