| SpectraBase Spectrum ID |
1ck5PiOgcvd |
| Name |
4-Fluoro-.alpha.-methylbenzyl alcohol, heptafluorobutyrate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
336.039654800 u |
| Formula |
C12H8F8O2 |
| InChI |
InChI=1S/C12H8F8O2/c1-6(7-2-4-8(13)5-3-7)22-9(21)10(14,15)11(16,17)12(18,19)20/h2-6H,1H3 |
| InChIKey |
FPFQPFWVRCGRBY-UHFFFAOYSA-N |
| Molecular Weight |
336.181 g/mol |
| SMILES |
C1(=CC=C(C=C1)F)C(OC(=O)C(C(C(F)(F)F)(F)F)(F)F)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.977337 |
