| SpectraBase Compound ID | 9IQwTudfobi |
|---|---|
| InChI | InChI=1S/C4HCl2F7/c5-1(6)2(7,8)3(9,10)4(11,12)13/h1H |
| InChIKey | FRAAFLQSUCATRS-UHFFFAOYSA-N |
| Mol Weight | 252.95 g/mol |
| Molecular Formula | C4HCl2F7 |
| Exact Mass | 251.934353 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3OfVi9JXMLY |
|---|---|
| Name | 1,1-Dichloro-2,2,3,3,4,4,4-heptafluorobutane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.934352573 u |
| Formula | C4HCl2F7 |
| InChI | InChI=1S/C4HCl2F7/c5-1(6)2(7,8)3(9,10)4(11,12)13/h1H |
| InChIKey | FRAAFLQSUCATRS-UHFFFAOYSA-N |
| Molecular Weight | 252.947 g/mol |
| SMILES | C(C(C(Cl)Cl)(F)F)(C(F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.875879 |