| SpectraBase Spectrum ID |
4AqN6dXzy5k |
| Name |
2,4,6-Octatrienedial, 2-[(acetyloxy)methyl]-7-methyl-, (E,E,E)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
222.089208927 u |
| Formula |
C12H14O4 |
| InChI |
InChI=1S/C12H14O4/c1-10(7-13)5-3-4-6-12(8-14)9-16-11(2)15/h3-8H,9H2,1-2H3/b4-3+,10-5+,12-6- |
| InChIKey |
MXORNJGHLYFOLD-XOLAMVPMSA-N |
| Molecular Weight |
222.240 g/mol |
| SMILES |
C(\C(=C\C=C\C=C\(C=O)COC(=O)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.90718 |
![2,4,6-Octatrienedial, 2-[(acetyloxy)methyl]-7-methyl-, (E,E,E)-](/api/spectrum/4AqN6dXzy5k/structure.png?h=300&w=458 "2,4,6-Octatrienedial, 2-[(acetyloxy)methyl]-7-methyl-, (E,E,E)-")
