| SpectraBase Compound ID | GfHEyHnHrqq |
|---|---|
| InChI | InChI=1S/C3H6ClFO/c4-3(1-5)2-6/h3,6H,1-2H2 |
| InChIKey | LTCGVFYSBYYWLO-UHFFFAOYSA-N |
| Mol Weight | 112.53 g/mol |
| Molecular Formula | C3H6ClFO |
| Exact Mass | 112.009121 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8JHKWsn0jly |
|---|---|
| Name | 1-Propanol, 2-chloro-3-fluoro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 112.009120675 u |
| Formula | C3H6ClFO |
| InChI | InChI=1S/C3H6ClFO/c4-3(1-5)2-6/h3,6H,1-2H2 |
| InChIKey | LTCGVFYSBYYWLO-UHFFFAOYSA-N |
| Molecular Weight | 112.531 g/mol |
| SMILES | C(CF)(CO)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.899634 |