| SpectraBase Compound ID | FeY5xQxYd8N |
|---|---|
| InChI | InChI=1S/C16H10N4/c1-20-11-13(15-4-2-3-5-16(15)20)7-6-12(8-17)14(9-18)10-19/h2-7,11H,1H3/b7-6+ |
| InChIKey | XABSHRUAMIKWJW-VOTSOKGWSA-N |
| Mol Weight | 258.28 g/mol |
| Molecular Formula | C16H10N4 |
| Exact Mass | 258.090546 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HqAfdpfvjbs |
|---|---|
| Name | 1,3-Butadiene-1,1,2-tricarbonitrile, 4-(1-methyl-1H-indol-3-yl)-, (E)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.090546338 u |
| Formula | C16H10N4 |
| InChI | InChI=1S/C16H10N4/c1-20-11-13(15-4-2-3-5-16(15)20)7-6-12(8-17)14(9-18)10-19/h2-7,11H,1H3/b7-6+ |
| InChIKey | XABSHRUAMIKWJW-VOTSOKGWSA-N |
| Molecular Weight | 258.284 g/mol |
| SMILES | C=1N(C2=C(C1\C=C\C(=C(C#N)C#N)C#N)C=CC=C2)C |