| SpectraBase Compound ID | 6Hfeb4xPMOo |
|---|---|
| InChI | InChI=1S/C11H24O3/c1-2-3-4-5-6-7-8-14-10-11(13)9-12/h11-13H,2-10H2,1H3 |
| InChIKey | GUPXYSSGJWIURR-UHFFFAOYSA-N |
| Mol Weight | 204.31 g/mol |
| Molecular Formula | C11H24O3 |
| Exact Mass | 204.172545 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2z6GeKuKsqm |
|---|---|
| Name | 3-(Octyloxy)-1,2-propanediol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.172544630 u |
| Formula | C11H24O3 |
| InChI | InChI=1S/C11H24O3/c1-2-3-4-5-6-7-8-14-10-11(13)9-12/h11-13H,2-10H2,1H3 |
| InChIKey | GUPXYSSGJWIURR-UHFFFAOYSA-N |
| Molecular Weight | 204.310 g/mol |
| SMILES | C(OCC(CO)O)CCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.950595 |