| SpectraBase Compound ID | 7kb019S0SXU |
|---|---|
| InChI | InChI=1S/C13H16N2O2/c1-8(2)7-11-13(17)14-10-6-4-3-5-9(10)12(16)15-11/h3-6,8,11H,7H2,1-2H3,(H,14,17)(H,15,16) |
| InChIKey | SCMSPSNUIDGTME-UHFFFAOYSA-N |
| Mol Weight | 232.28 g/mol |
| Molecular Formula | C13H16N2O2 |
| Exact Mass | 232.121178 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | e0jwpvCCa |
|---|---|
| Name | 3,4-Dihydro-3-isobutyl-1H-1,4-benzodiazepine-2,5-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.121177761 u |
| Formula | C13H16N2O2 |
| InChI | InChI=1S/C13H16N2O2/c1-8(2)7-11-13(17)14-10-6-4-3-5-9(10)12(16)15-11/h3-6,8,11H,7H2,1-2H3,(H,14,17)(H,15,16) |
| InChIKey | SCMSPSNUIDGTME-UHFFFAOYSA-N |
| SMILES | N1C(C2=C(C=CC=C2)NC(C1CC(C)C)=O)=O |