| SpectraBase Spectrum ID |
AffD4UNgTv4 |
| Name |
5,9-Tetradecadiene-2,13-diol, 5,10-dimethyl-, monobenzoate, [S-[R*,R*-(E,E)]]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
358.250794952 u |
| Formula |
C23H34O3 |
| InChI |
InChI=1S/C23H34O3/c1-18(14-16-20(3)24)10-8-9-11-19(2)15-17-21(4)26-23(25)22-12-6-5-7-13-22/h5-7,10-13,20-21,24H,8-9,14-17H2,1-4H3/b18-10+,19-11+/t20-,21-/m0/s1 |
| InChIKey |
CQOKCNZCYXKGGW-VWDLUSOTSA-N |
| Molecular Weight |
358.522 g/mol |
| SMILES |
C(O[C@](CC\C(=C\CC\C=C\(CC[C@@](O)(C)[H])C)C)(C)[H])(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.91321 |
![5,9-Tetradecadiene-2,13-diol, 5,10-dimethyl-, monobenzoate, [S-[R*,R*-(E,E)]]-](/api/spectrum/AffD4UNgTv4/structure.png?h=300&w=458 "5,9-Tetradecadiene-2,13-diol, 5,10-dimethyl-, monobenzoate, [S-[R*,R*-(E,E)]]-")
