| SpectraBase Compound ID | 8AGjRhYbfFb |
|---|---|
| InChI | InChI=1S/C17H19N/c1-14-8-6-7-11-16(14)13-17(18-2)12-15-9-4-3-5-10-15/h3-11,17H,2,12-13H2,1H3 |
| InChIKey | GAWQJNQUQDSFJQ-UHFFFAOYSA-N |
| Mol Weight | 237.35 g/mol |
| Molecular Formula | C17H19N |
| Exact Mass | 237.15175 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | YH3ztgzH4J |
|---|---|
| Name | (1-Benzyl-2-o-tolyl-ethyl)-isonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 237.151749616 u |
| Formula | C17H19N |
| InChI | InChI=1S/C17H19N/c1-14-8-6-7-11-16(14)13-17(18-2)12-15-9-4-3-5-10-15/h3-11,17H,2,12-13H2,1H3 |
| InChIKey | GAWQJNQUQDSFJQ-UHFFFAOYSA-N |
| Molecular Weight | 237.346 g/mol |
| Nominal Mass | 237 u |
| SMILES | C1(=C(C=CC=C1)C)CC(N=C)CC1=CC=CC=C1 |