| SpectraBase Compound ID | EQVcOZIeEAX |
|---|---|
| InChI | InChI=1S/C9H15ClF2O2/c1-2-3-4-5-6-7-14-8(13)9(10,11)12/h2-7H2,1H3 |
| InChIKey | FFGUXKSMXJVXSA-UHFFFAOYSA-N |
| Mol Weight | 228.67 g/mol |
| Molecular Formula | C9H15ClF2O2 |
| Exact Mass | 228.072864 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8xVWzhbTd9Z |
|---|---|
| Name | 1-Heptanol, chlorodifluoroacetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.072863747 u |
| Formula | C9H15ClF2O2 |
| InChI | InChI=1S/C9H15ClF2O2/c1-2-3-4-5-6-7-14-8(13)9(10,11)12/h2-7H2,1H3 |
| InChIKey | FFGUXKSMXJVXSA-UHFFFAOYSA-N |
| Molecular Weight | 228.667 g/mol |
| SMILES | CCCCCCCOC(C(F)(F)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.832855 |