| SpectraBase Compound ID | 1D5Bjx9Pbi3 |
|---|---|
| InChI | InChI=1S/C9H16O2/c1-5-7(4)9(11)8(10)6(2)3/h5,8-11H,2H2,1,3-4H3/b7-5+ |
| InChIKey | ICLPTTARVKZAKL-FNORWQNLSA-N |
| Mol Weight | 156.22 g/mol |
| Molecular Formula | C9H16O2 |
| Exact Mass | 156.11503 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 5m1k68br1j4 |
|---|---|
| Name | 1,5-Heptadiene-3,4-diol, 2,5-dimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 156.115029753 u |
| Formula | C9H16O2 |
| InChI | InChI=1S/C9H16O2/c1-5-7(4)9(11)8(10)6(2)3/h5,8-11H,2H2,1,3-4H3/b7-5+ |
| InChIKey | ICLPTTARVKZAKL-FNORWQNLSA-N |
| Molecular Weight | 156.225 g/mol |
| SMILES | C(C(\C(=C\C)C)O)(C(C)=C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.936974 |