| SpectraBase Compound ID | 9jbe3y481px |
|---|---|
| InChI | InChI=1S/C15H13N3O6/c1-24-12-6-7-13(14(9-12)18(22)23)16-15(19)8-10-2-4-11(5-3-10)17(20)21/h2-7,9H,8H2,1H3,(H,16,19) |
| InChIKey | IFQPNZISBMFEFQ-UHFFFAOYSA-N |
| Mol Weight | 331.28 g/mol |
| Molecular Formula | C15H13N3O6 |
| Exact Mass | 331.080435 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | CuHrAwXNvG4 |
|---|---|
| Name | 2'-Nitro-2-(p-nitrophenyl)-p-acetanisidide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 331.080435145 u |
| Formula | C15H13N3O6 |
| InChI | InChI=1S/C15H13N3O6/c1-24-12-6-7-13(14(9-12)18(22)23)16-15(19)8-10-2-4-11(5-3-10)17(20)21/h2-7,9H,8H2,1H3,(H,16,19) |
| InChIKey | IFQPNZISBMFEFQ-UHFFFAOYSA-N |
| Molecular Weight | 331.284 g/mol |
| SMILES | N(C1=CC=C(C=C1N(=O)=O)OC)C(=O)CC=1C=CC(=CC1)N(=O)=O |