| SpectraBase Spectrum ID |
5S2zlj6ZKrn |
| Name |
3-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 |
229.053906663 u |
| Formula |
C13H8FNO2 |
| InChI |
InChI=1S/C13H8FNO2/c14-8-5-6-9-12(7-8)17-11-4-2-1-3-10(11)15-13(9)16/h1-7H,(H,15,16) |
| InChIKey |
MYZOFOAXNCQMSP-UHFFFAOYSA-N |
| Molecular Weight |
229.210 g/mol |
| SMILES |
C=12OC=3C(C(NC2=CC=CC1)=O)=CC=C(C3)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948164 |
![3-Fluorodibenzo[b,f][1,4]oxazepin-11(10H)-one](/api/spectrum/5S2zlj6ZKrn/structure.png?h=300&w=458 "3-Fluorodibenzo[b,f][1,4]oxazepin-11(10H)-one")
