| SpectraBase Spectrum ID |
ImtQaK5vmkn |
| Name |
2-(Phenylmethyl)phenol, heptafluorobutyrate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
380.064726733 u |
| Formula |
C17H11F7O2 |
| InChI |
InChI=1S/C17H11F7O2/c18-15(19,16(20,21)17(22,23)24)14(25)26-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9H,10H2 |
| InChIKey |
FQXIWIWRNIKYLZ-UHFFFAOYSA-N |
| Molecular Weight |
380.262 g/mol |
| SMILES |
C1(OC(=O)C(C(C(F)(F)F)(F)F)(F)F)=C(C=CC=C1)CC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959719 |
