| SpectraBase Compound ID | yAlrVEESKK |
|---|---|
| InChI | InChI=1S/C22H25N3O/c1-4-5-11-16-25-19-15-10-9-14-18(19)20(24-25)21(26)23-22(2,3)17-12-7-6-8-13-17/h4,6-10,12-15H,1,5,11,16H2,2-3H3,(H,23,26) |
| InChIKey | QPGWUUKKUYDBLP-UHFFFAOYSA-N |
| Mol Weight | 347.46 g/mol |
| Molecular Formula | C22H25N3O |
| Exact Mass | 347.199762 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7SUJwAWCh18 |
|---|---|
| Name | 5F-Cumyl-pinaca-A (-hf) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 347.199762436 u |
| Formula | C22H25N3O |
| InChI | InChI=1S/C22H25N3O/c1-4-5-11-16-25-19-15-10-9-14-18(19)20(24-25)21(26)23-22(2,3)17-12-7-6-8-13-17/h4,6-10,12-15H,1,5,11,16H2,2-3H3,(H,23,26) |
| InChIKey | QPGWUUKKUYDBLP-UHFFFAOYSA-N |
| Molecular Weight | 347.462 g/mol |
| SMILES | C(NC(C=1C=2C(N(N1)CCCC=C)=CC=CC2)=O)(C=1C=CC=CC1)(C)C |