| SpectraBase Spectrum ID |
4hNt5AXURE7 |
| Name |
2,6-Octadiene-1,8-diol, diacetate, (E,E)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
226.120509056 u |
| Formula |
C12H18O4 |
| InChI |
InChI=1S/C12H18O4/c1-11(13)15-9-7-5-3-4-6-8-10-16-12(2)14/h5-8H,3-4,9-10H2,1-2H3/b7-5+,8-6+ |
| InChIKey |
BIFYKYLRYJMQRF-KQQUZDAGSA-N |
| Molecular Weight |
226.272 g/mol |
| SMILES |
C(=O)(OC\C=C\CC\C=C\COC(=O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967548 |
