| SpectraBase Compound ID | 73IxMxM7hSm |
|---|---|
| InChI | InChI=1S/C10H4N2O4/c11-5-7-3-6-4-8(12(14)15)1-2-9(6)16-10(7)13/h1-4H |
| InChIKey | MXTJNGBPCMTVJI-UHFFFAOYSA-N |
| Mol Weight | 216.15 g/mol |
| Molecular Formula | C10H4N2O4 |
| Exact Mass | 216.017107 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9I30THDjiWU |
|---|---|
| Name | 2-Keto-6-nitro-chromene-3-carbonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.017106613 u |
| Formula | C10H4N2O4 |
| InChI | InChI=1S/C10H4N2O4/c11-5-7-3-6-4-8(12(14)15)1-2-9(6)16-10(7)13/h1-4H |
| InChIKey | MXTJNGBPCMTVJI-UHFFFAOYSA-N |
| Molecular Weight | 216.152 g/mol |
| SMILES | C=1(C(OC2=C(C1)C=C(N(=O)=O)C=C2)=O)C#N |