![Diphenyl ketone, 2-[aminoacetylamino]-5-nitro-](/api/spectrum/CIDZdpHRvW8/structure.png?h=300&w=458 "Diphenyl ketone, 2-[aminoacetylamino]-5-nitro-")
| SpectraBase Compound ID | GW9KgD0UNtT |
|---|---|
| InChI | InChI=1S/C15H13N3O4/c16-9-14(19)17-13-7-6-11(18(21)22)8-12(13)15(20)10-4-2-1-3-5-10/h1-8H,9,16H2,(H,17,19) |
| InChIKey | YEABXHBIQRGGDP-UHFFFAOYSA-N |
| Mol Weight | 299.29 g/mol |
| Molecular Formula | C15H13N3O4 |
| Exact Mass | 299.090606 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CIDZdpHRvW8 |
|---|---|
| Name | Diphenyl ketone, 2-[aminoacetylamino]-5-nitro- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.090605907 u |
| Formula | C15H13N3O4 |
| InChI | InChI=1S/C15H13N3O4/c16-9-14(19)17-13-7-6-11(18(21)22)8-12(13)15(20)10-4-2-1-3-5-10/h1-8H,9,16H2,(H,17,19) |
| InChIKey | YEABXHBIQRGGDP-UHFFFAOYSA-N |
| Molecular Weight | 299.286 g/mol |
| SMILES | C1=C(C(C2=CC(=CC=C2NC(=O)CN)N(=O)=O)=O)C=CC=C1 |