| SpectraBase Compound ID | CiBiqRUso81 |
|---|---|
| InChI | InChI=1S/C15H11ClN2O/c16-11-6-7-12-14(8-11)17-13(9-15(19)18-12)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19) |
| InChIKey | MLSCGRASZVUJAC-UHFFFAOYSA-N |
| Mol Weight | 270.72 g/mol |
| Molecular Formula | C15H11ClN2O |
| Exact Mass | 270.055991 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LthptqglJGN |
|---|---|
| Name | 7-Chloranyl-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.055990681 u |
| Formula | C15H11ClN2O |
| InChI | InChI=1S/C15H11ClN2O/c16-11-6-7-12-14(8-11)17-13(9-15(19)18-12)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19) |
| InChIKey | MLSCGRASZVUJAC-UHFFFAOYSA-N |
| SMILES | C1(NC=2C(N=C(C1)C=1C=CC=CC1)=CC(=CC2)Cl)=O |