| SpectraBase Compound ID | IUmj3F6pR46 |
|---|---|
| InChI | InChI=1S/C6H14O/c1-6(2,3)5-7-4/h5H2,1-4H3 |
| InChIKey | JILHZKWLEAKYRC-UHFFFAOYSA-N |
| Mol Weight | 102.18 g/mol |
| Molecular Formula | C6H14O |
| Exact Mass | 102.104465 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Cyv3PIpWc4f |
|---|---|
| Name | Propane, 1-methoxy-2,2-dimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 102.104465070 u |
| Formula | C6H14O |
| InChI | InChI=1S/C6H14O/c1-6(2,3)5-7-4/h5H2,1-4H3 |
| InChIKey | JILHZKWLEAKYRC-UHFFFAOYSA-N |
| Molecular Weight | 102.177 g/mol |
| SMILES | C(C(C)(C)C)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.939975 |