| SpectraBase Compound ID | ITpgoSK28Zd |
|---|---|
| InChI | InChI=1S/C17H14N2/c1-13-16(11-18)15-9-5-6-10-17(15)19(13)12-14-7-3-2-4-8-14/h2-10H,12H2,1H3 |
| InChIKey | KYZPLWBKMAMUIV-UHFFFAOYSA-N |
| Mol Weight | 246.31 g/mol |
| Molecular Formula | C17H14N2 |
| Exact Mass | 246.115698 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7lsC58HYE1I |
|---|---|
| Name | 1-Benzyl-2-methyl-1H-indole-3-carbonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.115698459 u |
| Formula | C17H14N2 |
| InChI | InChI=1S/C17H14N2/c1-13-16(11-18)15-9-5-6-10-17(15)19(13)12-14-7-3-2-4-8-14/h2-10H,12H2,1H3 |
| InChIKey | KYZPLWBKMAMUIV-UHFFFAOYSA-N |
| Molecular Weight | 246.313 g/mol |
| SMILES | C1=CC=C(CN2C(=C(C#N)C=3C2=CC=CC3)C)C=C1 |