| SpectraBase Spectrum ID |
J4TLCRvkabH |
| Name |
2H-1,4-Benzodiazepin-2-one, 1-(1,1-dimethylethyl)-7-chloro-1,3-dihydro-5-phenyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.118590939 u |
| Formula |
C19H19ClN2O |
| InChI |
InChI=1S/C19H19ClN2O/c1-19(2,3)22-16-10-9-14(20)11-15(16)18(21-12-17(22)23)13-7-5-4-6-8-13/h4-11H,12H2,1-3H3 |
| InChIKey |
BXZQVFOYDUQAQB-UHFFFAOYSA-N |
| Molecular Weight |
326.827 g/mol |
| SMILES |
C1=2N(C(CN=C(C2C=C(C=C1)Cl)C1=CC=CC=C1)=O)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.848419 |
