| SpectraBase Compound ID | LXxljbV4D77 |
|---|---|
| InChI | InChI=1S/C17H13N3O4/c1-11-2-6-13(7-3-11)19-16(21)15(18-17(19)22)10-12-4-8-14(9-5-12)20(23)24/h2-10H,1H3,(H,18,22) |
| InChIKey | SHMROWGYVPFCFK-UHFFFAOYSA-N |
| Mol Weight | 323.31 g/mol |
| Molecular Formula | C17H13N3O4 |
| Exact Mass | 323.090606 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BNaErp2H3Z2 |
|---|---|
| Name | 5-(p-Nitrobenzylidene)-3-p-tolylhydantoin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 323.090605907 u |
| Formula | C17H13N3O4 |
| InChI | InChI=1S/C17H13N3O4/c1-11-2-6-13(7-3-11)19-16(21)15(18-17(19)22)10-12-4-8-14(9-5-12)20(23)24/h2-10H,1H3,(H,18,22) |
| InChIKey | SHMROWGYVPFCFK-UHFFFAOYSA-N |
| Molecular Weight | 323.308 g/mol |
| SMILES | N1C(N(C(C1=CC1=CC=C(C=C1)N(=O)=O)=O)C1=CC=C(C)C=C1)=O |