| SpectraBase Compound ID | KQV9WeekKid |
|---|---|
| InChI | InChI=1S/C10H12F6O4/c11-9(12,13)7(17)19-5-3-1-2-4-6-20-8(18)10(14,15)16/h1-6H2 |
| InChIKey | ZMDLPSLUCFYZMI-UHFFFAOYSA-N |
| Mol Weight | 310.19 g/mol |
| Molecular Formula | C10H12F6O4 |
| Exact Mass | 310.063978 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | CGDD0omYSZp |
|---|---|
| Name | 1,6-Hexanediol, bis(trifluoroacetate) |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.063977840 u |
| Formula | C10H12F6O4 |
| InChI | InChI=1S/C10H12F6O4/c11-9(12,13)7(17)19-5-3-1-2-4-6-20-8(18)10(14,15)16/h1-6H2 |
| InChIKey | ZMDLPSLUCFYZMI-UHFFFAOYSA-N |
| Molecular Weight | 310.192 g/mol |
| SMILES | C(F)(F)(F)C(OCCCCCCOC(C(F)(F)F)=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.941073 |