| SpectraBase Compound ID | BWFEKpxUU1G |
|---|---|
| InChI | InChI=1S/C9H18O3/c1-2-6-12-7-4-3-5-9(11)8-10/h2,9-11H,1,3-8H2 |
| InChIKey | VLQGQNNONKOTPS-UHFFFAOYSA-N |
| Mol Weight | 174.24 g/mol |
| Molecular Formula | C9H18O3 |
| Exact Mass | 174.125594 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | D6HxX81uN92 |
|---|---|
| Name | 6-Prop-2-enoxyhexane-1,2-diol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.125594437 u |
| Formula | C9H18O3 |
| InChI | InChI=1S/C9H18O3/c1-2-6-12-7-4-3-5-9(11)8-10/h2,9-11H,1,3-8H2 |
| InChIKey | VLQGQNNONKOTPS-UHFFFAOYSA-N |
| Molecular Weight | 174.240 g/mol |
| SMILES | C(=C)COCCCCC(O)CO |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.954033 |