| SpectraBase Spectrum ID |
7XiSCekoTXx |
| Name |
Benzo[B]oxepine, 3-chloro-5-(4-fluorophenyl)-2-(4-methoxyphenyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
378.082285616 u |
| Formula |
C23H16ClFO2 |
| InChI |
InChI=1S/C23H16ClFO2/c1-26-18-12-8-16(9-13-18)23-21(24)14-20(15-6-10-17(25)11-7-15)19-4-2-3-5-22(19)27-23/h2-14H,1H3 |
| InChIKey |
JONYNHWJHSZELQ-UHFFFAOYSA-N |
| Molecular Weight |
378.830 g/mol |
| SMILES |
C1(=CC(Cl)=C(C2=CC=C(OC)C=C2)OC2=C1C=CC=C2)C1=CC=C(C=C1)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.908015 |
![Benzo[b]oxepine, 3-chloro-5-(4-fluorophenyl)-2-(4-methoxyphenyl)-](/api/spectrum/7XiSCekoTXx/structure.png?h=300&w=458 "Benzo[b]oxepine, 3-chloro-5-(4-fluorophenyl)-2-(4-methoxyphenyl)-")
