| SpectraBase Compound ID | 9lF1CNUFIBy |
|---|---|
| InChI | InChI=1S/C16H14N2O/c1-11-16(19)18-14-10-6-5-9-13(14)15(17-11)12-7-3-2-4-8-12/h2-11H,1H3,(H,18,19) |
| InChIKey | QFCQGJLUYWNOAC-UHFFFAOYSA-N |
| Mol Weight | 250.3 g/mol |
| Molecular Formula | C16H14N2O |
| Exact Mass | 250.110613 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EYGxZgQ8Mtv |
|---|---|
| Name | 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-3-methyl-5-phenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.110613078 u |
| Formula | C16H14N2O |
| InChI | InChI=1S/C16H14N2O/c1-11-16(19)18-14-10-6-5-9-13(14)15(17-11)12-7-3-2-4-8-12/h2-11H,1H3,(H,18,19) |
| InChIKey | QFCQGJLUYWNOAC-UHFFFAOYSA-N |
| Molecular Weight | 250.301 g/mol |
| SMILES | C1(=NC(C(NC=2C1=CC=CC2)=O)C)C1=CC=CC=C1 |