| SpectraBase Spectrum ID |
8ith1eXbCFp |
| Name |
4-Acetoxy-3,7-dimethyl-2,4,6-octatrienyl acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.136159120 u |
| Formula |
C14H20O4 |
| InChI |
InChI=1S/C14H20O4/c1-10(2)6-7-14(18-13(5)16)11(3)8-9-17-12(4)15/h6-8H,9H2,1-5H3/b11-8+,14-7- |
| InChIKey |
WQZJSQKLYMZROD-FNESWMCKSA-N |
| Molecular Weight |
252.310 g/mol |
| SMILES |
C(C)(=O)OC\C=C\(\C(=C\C=C(C)C)OC(=O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.897739 |
