| SpectraBase Compound ID | H9liB0ZHZAs |
|---|---|
| InChI | InChI=1S/C21H25N3/c1-23-14-16-24(17-15-23)13-12-21(18-22,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11H,12-17H2,1H3 |
| InChIKey | IBKOFEBLTIVRPC-UHFFFAOYSA-N |
| Mol Weight | 319.45 g/mol |
| Molecular Formula | C21H25N3 |
| Exact Mass | 319.204848 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G2QmLhu3POw |
|---|---|
| Name | Butanenitrile, 4-(4-methylpiperazin-1-yl)-2,2-diphenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 319.204847817 u |
| Formula | C21H25N3 |
| InChI | InChI=1S/C21H25N3/c1-23-14-16-24(17-15-23)13-12-21(18-22,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11H,12-17H2,1H3 |
| InChIKey | IBKOFEBLTIVRPC-UHFFFAOYSA-N |
| Molecular Weight | 319.452 g/mol |
| SMILES | C(C#N)(CCN1CCN(C)CC1)(C=1C=CC=CC1)C=1C=CC=CC1 |