| SpectraBase Compound ID | 5YTtgSLWx6T |
|---|---|
| InChI | InChI=1S/C10H22O2/c1-3-4-5-6-10(9-11)7-8-12-2/h10-11H,3-9H2,1-2H3 |
| InChIKey | ADSZOXWPIYQBPP-UHFFFAOYSA-N |
| Mol Weight | 174.28 g/mol |
| Molecular Formula | C10H22O2 |
| Exact Mass | 174.16198 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CNASolEMrqL |
|---|---|
| Name | 1-Methoxy-3-hydroxymethyloctane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.161979946 u |
| Formula | C10H22O2 |
| InChI | InChI=1S/C10H22O2/c1-3-4-5-6-10(9-11)7-8-12-2/h10-11H,3-9H2,1-2H3 |
| InChIKey | ADSZOXWPIYQBPP-UHFFFAOYSA-N |
| Molecular Weight | 174.284 g/mol |
| SMILES | C(OC)CC(CCCCC)CO |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.900174 |