SpectraBase Spectrum ID |
Hq1qfVupJmq |
Name |
2-Phenylaminobenzoxazepine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
238.110613078 u |
Formula |
C15H14N2O |
InChI |
InChI=1S/C15H14N2O/c1-2-7-13(8-3-1)16-15-17-14-9-5-4-6-12(14)10-11-18-15/h1-9H,10-11H2,(H,16,17) |
InChIKey |
WEXWVOXNQDVBLI-UHFFFAOYSA-N |
Molecular Weight |
238.290 g/mol |
SMILES |
C1(=NC=2C(CCO1)=CC=CC2)NC1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.878266 |