SpectraBase Spectrum ID |
5euiiteDIqA |
Name |
Dibenzo[B,F][1,4]oxazepin-11(10H)-one, 8-methyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
225.078978596 u |
Formula |
C14H11NO2 |
InChI |
InChI=1S/C14H11NO2/c1-9-6-7-13-11(8-9)15-14(16)10-4-2-3-5-12(10)17-13/h2-8H,1H3,(H,15,16) |
InChIKey |
PUUANEHDCIMSLV-UHFFFAOYSA-N |
Molecular Weight |
225.247 g/mol |
SMILES |
C1(NC2=C(OC=3C1=CC=CC3)C=CC(=C2)C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944441 |