| SpectraBase Compound ID | KriKmuYQr5r |
|---|---|
| InChI | InChI=1S/C23H22FN3O/c24-12-4-1-5-14-27-16-20(19-15-25-13-11-22(19)27)23(28)26-21-10-6-8-17-7-2-3-9-18(17)21/h2-3,6-11,13,15-16H,1,4-5,12,14H2,(H,26,28) |
| InChIKey | BRRZRRZUERBDQL-UHFFFAOYSA-N |
| Mol Weight | 375.45 g/mol |
| Molecular Formula | C23H22FN3O |
| Exact Mass | 375.174691 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KhazMWQ91H1 |
|---|---|
| Name | 5-fluoro PCN |
| Catalog Number | 15963 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H22FN3O |
| InChI | InChI=1S/C23H22FN3O/c24-12-4-1-5-14-27-16-20(19-15-25-13-11-22(19)27)23(28)26-21-10-6-8-17-7-2-3-9-18(17)21/h2-3,6-11,13,15-16H,1,4-5,12,14H2,(H,26,28) |
| InChIKey | BRRZRRZUERBDQL-UHFFFAOYSA-N |
| Molecular Weight | 375.447 g/mol |
| SMILES | C(F)CCCC[n]1c2c(c(c1)C(=O)Nc1c3c(ccc1)cccc3)cncc2 |
| SPLASH | splash10-001i-2691000000-523cf6c3c7b46274b34f |
| Source of Spectrum | CAY-2023-1278-0 |
| Wiley ID | 1889215 |