![2-{[1-(4-bromophenyl)-1H-pyrrol-2-yl]methylene}malononitrile](/api/spectrum/1xxsHVhHDfE/structure.png?h=300&w=458 "2-{[1-(4-bromophenyl)-1H-pyrrol-2-yl]methylene}malononitrile")
| SpectraBase Compound ID | UhYZPsXJH8 |
|---|---|
| InChI | InChI=1S/C14H8BrN3/c15-12-3-5-13(6-4-12)18-7-1-2-14(18)8-11(9-16)10-17/h1-8H |
| InChIKey | CUWHAFGEFKQKAH-UHFFFAOYSA-N |
| Mol Weight | 298.14 g/mol |
| Molecular Formula | C14H8BrN3 |
| Exact Mass | 296.99016 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1xxsHVhHDfE |
|---|---|
| Name | 2-{[1-(4-Bromophenyl)-1H-pyrrol-2-yl]methylene}malononitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.990160270 u |
| Formula | C14H8BrN3 |
| InChI | InChI=1S/C14H8BrN3/c15-12-3-5-13(6-4-12)18-7-1-2-14(18)8-11(9-16)10-17/h1-8H |
| InChIKey | CUWHAFGEFKQKAH-UHFFFAOYSA-N |
| Molecular Weight | 298.143 g/mol |
| SMILES | C=1(N(C=CC1)C1=CC=C(C=C1)Br)C=C(C#N)C#N |