| SpectraBase Compound ID | n1CaYP46yr |
|---|---|
| InChI | InChI=1S/C6H14O2/c1-6(4-7-2)5-8-3/h6H,4-5H2,1-3H3 |
| InChIKey | HOQQNQIKEFTTKA-UHFFFAOYSA-N |
| Mol Weight | 118.18 g/mol |
| Molecular Formula | C6H14O2 |
| Exact Mass | 118.09938 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 52H1ivowSDf |
|---|---|
| Name | Propane, 1,3-dimethoxy-2-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 118.099379689 u |
| Formula | C6H14O2 |
| InChI | InChI=1S/C6H14O2/c1-6(4-7-2)5-8-3/h6H,4-5H2,1-3H3 |
| InChIKey | HOQQNQIKEFTTKA-UHFFFAOYSA-N |
| Molecular Weight | 118.176 g/mol |
| SMILES | C(OC)C(C)COC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.858918 |