| SpectraBase Compound ID | 3JTJ3ZpfBwq |
|---|---|
| InChI | InChI=1S/C25H27NO/c1-20(22-12-6-3-7-13-22)26(21(2)27)19-18-25(23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-17,20,25H,18-19H2,1-2H3 |
| InChIKey | YGKSXUIIRLXTHW-UHFFFAOYSA-N |
| Mol Weight | 357.5 g/mol |
| Molecular Formula | C25H27NO |
| Exact Mass | 357.209264 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GoqZWPLhY4j |
|---|---|
| Name | Fendiline, N-acetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 357.209264492 u |
| Formula | C25H27NO |
| InChI | InChI=1S/C25H27NO/c1-20(22-12-6-3-7-13-22)26(21(2)27)19-18-25(23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-17,20,25H,18-19H2,1-2H3 |
| InChIKey | YGKSXUIIRLXTHW-UHFFFAOYSA-N |
| Molecular Weight | 357.497 g/mol |
| SMILES | C1(=CC=CC=C1)C(C)N(CCC(C1=CC=CC=C1)C1=CC=CC=C1)C(=O)C |