| SpectraBase Spectrum ID |
HdYd5TZREfB |
| Name |
2,7-Octadiene-1,6-diol, diacetate, (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/c1-4-12(16-11(3)14)8-6-5-7-9-15-10(2)13/h4-5,7,12H,1,6,8-9H2,2-3H3/b7-5+ |
| InChIKey |
NIVJKIABYIUTOF-FNORWQNLSA-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) |
0.937757 |
