![2-bromo-2'-[(hexahydro-2-oxo-1H-azepin-3-yl)carbamoyl]acetanilide](/api/spectrum/4tQ3Jl74Jh8/structure.png?h=300&w=458 "2-bromo-2'-[(hexahydro-2-oxo-1H-azepin-3-yl)carbamoyl]acetanilide")
| SpectraBase Compound ID | 8OhtytYKa9U |
|---|---|
| InChI | InChI=1S/C15H18BrN3O3/c16-9-13(20)18-11-6-2-1-5-10(11)14(21)19-12-7-3-4-8-17-15(12)22/h1-2,5-6,12H,3-4,7-9H2,(H,17,22)(H,18,20)(H,19,21) |
| InChIKey | GHVWYTOIPKHUQA-UHFFFAOYSA-N |
| Mol Weight | 368.23 g/mol |
| Molecular Formula | C15H18BrN3O3 |
| Exact Mass | 367.053154 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4tQ3Jl74Jh8 |
|---|---|
| Name | 2-Bromo-2'-[(hexahydro-2-oxo-1H-azepin-3-yl)carbamoyl]acetanilide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 367.053154449 u |
| Formula | C15H18BrN3O3 |
| InChI | InChI=1S/C15H18BrN3O3/c16-9-13(20)18-11-6-2-1-5-10(11)14(21)19-12-7-3-4-8-17-15(12)22/h1-2,5-6,12H,3-4,7-9H2,(H,17,22)(H,18,20)(H,19,21) |
| InChIKey | GHVWYTOIPKHUQA-UHFFFAOYSA-N |
| Molecular Weight | 368.231 g/mol |
| SMILES | N(C(C=1C(=CC=CC1)NC(CBr)=O)=O)C1CCCCNC1=O |