| SpectraBase Compound ID | C89DiLCOwzy |
|---|---|
| InChI | InChI=1S/C8H16O2/c1-3-5-6-8(10)7(9)4-2/h3,7-10H,1,4-6H2,2H3/t7-,8-/m0/s1 |
| InChIKey | TWSMNWMRGHFQIQ-YUMQZZPRSA-N |
| Mol Weight | 144.21 g/mol |
| Molecular Formula | C8H16O2 |
| Exact Mass | 144.11503 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GjOfEZXlg2U |
|---|---|
| Name | oct-7-ene-3,4-Diol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 144.115029753 u |
| Formula | C8H16O2 |
| InChI | InChI=1S/C8H16O2/c1-3-5-6-8(10)7(9)4-2/h3,7-10H,1,4-6H2,2H3/t7-,8-/m0/s1 |
| InChIKey | TWSMNWMRGHFQIQ-YUMQZZPRSA-N |
| Molecular Weight | 144.214 g/mol |
| SMILES | C=CCC[C@@]([C@](CC)(O)[H])(O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.93794 |