| SpectraBase Spectrum ID |
9P5KBZYjyTd |
| Name |
1,2-bis(3-Fluorophenyl)ethane-1,2-diol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
250.080535950 u |
| Formula |
C14H12F2O2 |
| InChI |
InChI=1S/C14H12F2O2/c15-11-5-1-3-9(7-11)13(17)14(18)10-4-2-6-12(16)8-10/h1-8,13-14,17-18H |
| InChIKey |
DPDBBIGFVRQSGO-UHFFFAOYSA-N |
| Molecular Weight |
250.245 g/mol |
| SMILES |
C(O)(C(C=1C=C(C=CC1)F)O)C=1C=C(C=CC1)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.853315 |
