| SpectraBase Spectrum ID |
El9JwWfTF7e |
| Name |
1,4-Benzodiazepin-2(1H,3H)-one, 7-chloro-5-phenyl-3-propyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
312.102940874 u |
| Formula |
C18H17ClN2O |
| InChI |
InChI=1S/C18H17ClN2O/c1-2-6-16-18(22)21-15-10-9-13(19)11-14(15)17(20-16)12-7-4-3-5-8-12/h3-5,7-11,16H,2,6H2,1H3,(H,21,22) |
| InChIKey |
KRGKZBZNCFVRCY-UHFFFAOYSA-N |
| Molecular Weight |
312.800 g/mol |
| SMILES |
C12=C(NC(C(N=C2C2=CC=CC=C2)CCC)=O)C=CC(=C1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.925742 |
