| SpectraBase Spectrum ID |
KXjyUDZ4MvX |
| Name |
2-(Difluoromethyl)-8-fluorodibenzo[B,F][1,4]oxazepin-11(10H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
279.050712989 u |
| Formula |
C14H8F3NO2 |
| InChI |
InChI=1S/C14H8F3NO2/c15-8-2-4-12-10(6-8)18-14(19)9-5-7(13(16)17)1-3-11(9)20-12/h1-6,13H,(H,18,19) |
| InChIKey |
KXLLMDTUFYEEKS-UHFFFAOYSA-N |
| Molecular Weight |
279.218 g/mol |
| SMILES |
C=12OC=3C(C(NC2=CC(=CC1)F)=O)=CC(=CC3)C(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.969349 |
![2-(difluoromethyl)-8-fluorodibenzo[b,f][1,4]oxazepin-11(10H)-one](/api/spectrum/KXjyUDZ4MvX/structure.png?h=300&w=458 "2-(difluoromethyl)-8-fluorodibenzo[b,f][1,4]oxazepin-11(10H)-one")
