| SpectraBase Spectrum ID |
KY04PFjf4jU |
| Name |
(2-Bromophenyl)-(4-chlorophenyl)-(2-fluoranyl-5-methoxy-phenyl)methanol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
419.992798584 u |
| Formula |
C20H15BrClFO2 |
| InChI |
InChI=1S/C20H15BrClFO2/c1-25-15-10-11-19(23)17(12-15)20(24,13-6-8-14(22)9-7-13)16-4-2-3-5-18(16)21/h2-12,24H,1H3 |
| InChIKey |
FGWNFZWVLZFITN-UHFFFAOYSA-N |
| Molecular Weight |
421.693 g/mol |
| SMILES |
C(C=1C(=CC=C(C1)OC)F)(C=1C(Br)=CC=CC1)(C=1C=CC(=CC1)Cl)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.815783 |
