| SpectraBase Compound ID | 997Z6bD90WO |
|---|---|
| InChI | InChI=1S/C19H21N/c1-19(2,3)18(16-12-8-5-9-13-16)17(14-20)15-10-6-4-7-11-15/h4-13,17-18H,1-3H3/t17-,18+/s2 |
| InChIKey | FIAIBGUOTFKXEM-ZVOYONDMSA-N |
| Mol Weight | 263.38 g/mol |
| Molecular Formula | C19H21N |
| Exact Mass | 263.1674 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3HFGoNaO0Td |
|---|---|
| Name | Erythro-4,4-dimethyl-2,3-diphenylvaleronitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 263.167399680 u |
| Formula | C19H21N |
| InChI | InChI=1S/C19H21N/c1-19(2,3)18(16-12-8-5-9-13-16)17(14-20)15-10-6-4-7-11-15/h4-13,17-18H,1-3H3/t17-,18+/s2 |
| InChIKey | FIAIBGUOTFKXEM-ZVOYONDMSA-N |
| Molecular Weight | 263.384 g/mol |
| SMILES | C=1C(=CC=CC1)[C@@]([C@@](C=1C=CC=CC1)(C#N)[H])(C(C)(C)C)[H] |