| SpectraBase Spectrum ID |
XIf64KlXPc |
| Name |
2-(Phenylmethyl)phenol, pentafluoropropionate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
330.067920407 u |
| Formula |
C16H11F5O2 |
| InChI |
InChI=1S/C16H11F5O2/c17-15(18,16(19,20)21)14(22)23-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9H,10H2 |
| InChIKey |
JQSOZVYUMVWFPL-UHFFFAOYSA-N |
| Molecular Weight |
330.254 g/mol |
| SMILES |
C1(OC(C(C(F)(F)F)(F)F)=O)=C(C=CC=C1)CC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.882751 |
