| SpectraBase Compound ID | HpD9aI97yk |
|---|---|
| InChI | InChI=1S/C19H18N2O/c1-2-3-13-21-17-12-8-7-11-16(17)19(20-14-18(21)22)15-9-5-4-6-10-15/h2,4-12H,1,3,13-14H2 |
| InChIKey | MCNMQKWTHDFDLU-UHFFFAOYSA-N |
| Mol Weight | 290.37 g/mol |
| Molecular Formula | C19H18N2O |
| Exact Mass | 290.141913 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JjexqyRxY2Q |
|---|---|
| Name | 1-but-3-Enyl-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.141913207 u |
| Formula | C19H18N2O |
| InChI | InChI=1S/C19H18N2O/c1-2-3-13-21-17-12-8-7-11-16(17)19(20-14-18(21)22)15-9-5-4-6-10-15/h2,4-12H,1,3,13-14H2 |
| InChIKey | MCNMQKWTHDFDLU-UHFFFAOYSA-N |
| SMILES | C1=2N(C(CN=C(C1=CC=CC2)C=1C=CC=CC1)=O)CCC=C |