![5-Chloroacetyl-4-methyl-1,3,4,5-tetrahydrobenzo[b][1,4]diazepin-2-one](/api/spectrum/KrLPoovVqW8/structure.png?h=300&w=458 "5-Chloroacetyl-4-methyl-1,3,4,5-tetrahydrobenzo[b][1,4]diazepin-2-one")
| SpectraBase Compound ID | Ca7x0C620y6 |
|---|---|
| InChI | InChI=1S/C12H13ClN2O2/c1-8-6-11(16)14-9-4-2-3-5-10(9)15(8)12(17)7-13/h2-5,8H,6-7H2,1H3,(H,14,16) |
| InChIKey | YCPNAYAAEMIXMZ-UHFFFAOYSA-N |
| Mol Weight | 252.7 g/mol |
| Molecular Formula | C12H13ClN2O2 |
| Exact Mass | 252.066555 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KrLPoovVqW8 |
|---|---|
| Name | 5-Chloroacetyl-4-methyl-1,3,4,5-tetrahydrobenzo[B][1,4]diazepin-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.066555365 u |
| Formula | C12H13ClN2O2 |
| InChI | InChI=1S/C12H13ClN2O2/c1-8-6-11(16)14-9-4-2-3-5-10(9)15(8)12(17)7-13/h2-5,8H,6-7H2,1H3,(H,14,16) |
| InChIKey | YCPNAYAAEMIXMZ-UHFFFAOYSA-N |
| Molecular Weight | 252.701 g/mol |
| SMILES | N1C=2C=CC=CC2N(C(CC1=O)C)C(CCl)=O |