| SpectraBase Compound ID | B7IPM18tiwS |
|---|---|
| InChI | InChI=1S/C12H10N2O2/c1-16-11-4-2-3-10(6-11)12(15)5-9(7-13)8-14/h2-4,6,9H,5H2,1H3 |
| InChIKey | DTDVMQRYGJEBTH-UHFFFAOYSA-N |
| Mol Weight | 214.22 g/mol |
| Molecular Formula | C12H10N2O2 |
| Exact Mass | 214.074228 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FrsH3duLNP7 |
|---|---|
| Name | 2-(2-(3-Methoxyphenyl)-2-oxoethyl)malononitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.074227568 u |
| Formula | C12H10N2O2 |
| InChI | InChI=1S/C12H10N2O2/c1-16-11-4-2-3-10(6-11)12(15)5-9(7-13)8-14/h2-4,6,9H,5H2,1H3 |
| InChIKey | DTDVMQRYGJEBTH-UHFFFAOYSA-N |
| Molecular Weight | 214.224 g/mol |
| SMILES | C1(=CC(=CC=C1)C(=O)CC(C#N)C#N)OC |