| SpectraBase Spectrum ID |
B3KVlQZIwM5 |
| Name |
7-Chloranyl-5-phenyl-2,3-dihydro-1,4-benzoxazepine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
257.060741709 u |
| Formula |
C15H12ClNO |
| InChI |
InChI=1S/C15H12ClNO/c16-12-6-7-14-13(10-12)15(17-8-9-18-14)11-4-2-1-3-5-11/h1-7,10H,8-9H2 |
| InChIKey |
CSNZXRSYGRFNFS-UHFFFAOYSA-N |
| Molecular Weight |
257.720 g/mol |
| SMILES |
C=12C(=NCCOC2=CC=C(C1)Cl)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.913047 |
