| SpectraBase Compound ID | 7CuRxMSzPS1 |
|---|---|
| InChI | InChI=1S/C16H12N2O3/c17-11-14(12-5-2-1-3-6-12)10-16(19)13-7-4-8-15(9-13)18(20)21/h1-9,14H,10H2 |
| InChIKey | XSFJKKXTKXCKSE-UHFFFAOYSA-N |
| Mol Weight | 280.28 g/mol |
| Molecular Formula | C16H12N2O3 |
| Exact Mass | 280.084792 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5I9vYPvwsho |
|---|---|
| Name | beta-(m-Nitrobenzoyl)hydratroponitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.084792251 u |
| Formula | C16H12N2O3 |
| InChI | InChI=1S/C16H12N2O3/c17-11-14(12-5-2-1-3-6-12)10-16(19)13-7-4-8-15(9-13)18(20)21/h1-9,14H,10H2 |
| InChIKey | XSFJKKXTKXCKSE-UHFFFAOYSA-N |
| SMILES | C(#N)C(CC(C=1C=C(C=CC1)N(=O)=O)=O)C=1C=CC=CC1 |