| SpectraBase Compound ID | Ju38aeRBJAb |
|---|---|
| InChI | InChI=1S/C5H9F3O3/c1-10-4(3-9,11-2)5(6,7)8/h9H,3H2,1-2H3 |
| InChIKey | LOMKCFPQMMVFPO-UHFFFAOYSA-N |
| Mol Weight | 174.12 g/mol |
| Molecular Formula | C5H9F3O3 |
| Exact Mass | 174.050379 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CoWD0mN7aA6 |
|---|---|
| Name | 1-Propanol, 3,3,3-trifluoro-2,2-dimethoxy- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.050378636 u |
| Formula | C5H9F3O3 |
| InChI | InChI=1S/C5H9F3O3/c1-10-4(3-9,11-2)5(6,7)8/h9H,3H2,1-2H3 |
| InChIKey | LOMKCFPQMMVFPO-UHFFFAOYSA-N |
| Molecular Weight | 174.119 g/mol |
| SMILES | C(C(F)(F)F)(OC)(OC)CO |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.830113 |