| SpectraBase Compound ID | F6tYRSEHKMg |
|---|---|
| InChI | InChI=1S/C9H11ClF2O2/c1-3-5-7(6-4-2)14-8(13)9(10,11)12/h3-4,7H,1-2,5-6H2 |
| InChIKey | JPRRPDFZSRIYTG-UHFFFAOYSA-N |
| Mol Weight | 224.63 g/mol |
| Molecular Formula | C9H11ClF2O2 |
| Exact Mass | 224.041564 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AaeUO9SJGaC |
|---|---|
| Name | 1,6-Heptadien-4-ol, chlorodifluoroacetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.041563618 u |
| Formula | C9H11ClF2O2 |
| InChI | InChI=1S/C9H11ClF2O2/c1-3-5-7(6-4-2)14-8(13)9(10,11)12/h3-4,7H,1-2,5-6H2 |
| InChIKey | JPRRPDFZSRIYTG-UHFFFAOYSA-N |
| Molecular Weight | 224.635 g/mol |
| SMILES | C=CCC(CC=C)OC(C(F)(F)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.861587 |