| SpectraBase Compound ID | 52Tp1TCRh5k |
|---|---|
| InChI | InChI=1S/C16H11N3O4/c17-10-16(12-3-7-14(8-4-12)19(22)23)9-15(16)11-1-5-13(6-2-11)18(20)21/h1-8,15H,9H2 |
| InChIKey | QMOQSTMQXUSYQB-UHFFFAOYSA-N |
| Mol Weight | 309.28 g/mol |
| Molecular Formula | C16H11N3O4 |
| Exact Mass | 309.074956 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4IH0K5Aiedx |
|---|---|
| Name | Cyclopropanecarbonitrile, 1,2-bis(p-nitrophenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 309.074955842 u |
| Formula | C16H11N3O4 |
| InChI | InChI=1S/C16H11N3O4/c17-10-16(12-3-7-14(8-4-12)19(22)23)9-15(16)11-1-5-13(6-2-11)18(20)21/h1-8,15H,9H2 |
| InChIKey | QMOQSTMQXUSYQB-UHFFFAOYSA-N |
| Molecular Weight | 309.281 g/mol |
| SMILES | C(#N)C1(C(C2=CC=C(C=C2)N(=O)=O)C1)C1=CC=C(C=C1)N(=O)=O |