| SpectraBase Spectrum ID |
FqAUryFtnz1 |
| Name |
2,6-Difluoro-.alpha.-methylbenzyl alcohol, heptafluorobutyrate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
354.030232930 u |
| Formula |
C12H7F9O2 |
| InChI |
InChI=1S/C12H7F9O2/c1-5(8-6(13)3-2-4-7(8)14)23-9(22)10(15,16)11(17,18)12(19,20)21/h2-5H,1H3 |
| InChIKey |
FFRCTXBHAPJBIA-UHFFFAOYSA-N |
| Molecular Weight |
354.172 g/mol |
| SMILES |
C1(=CC=CC(=C1C(C)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.919885 |
