![N-[1'-benzyl-4'-piperidinyl]-4-(heptafluorobutyryl)amino-5-chloro-2-methoxybenzamide](/api/spectrum/JmvjBLRR1Em/structure.png?h=300&w=458 "N-[1'-benzyl-4'-piperidinyl]-4-(heptafluorobutyryl)amino-5-chloro-2-methoxybenzamide")
| SpectraBase Compound ID | 4nGALAIuj7T |
|---|---|
| InChI | InChI=1S/C24H23ClF7N3O3/c1-38-19-12-18(34-21(37)22(26,27)23(28,29)24(30,31)32)17(25)11-16(19)20(36)33-15-7-9-35(10-8-15)13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13H2,1H3,(H,33,36)(H,34,37) |
| InChIKey | QUVRMZCLTQXYAY-UHFFFAOYSA-N |
| Mol Weight | 569.91 g/mol |
| Molecular Formula | C24H23ClF7N3O3 |
| Exact Mass | 569.131616 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | JmvjBLRR1Em |
|---|---|
| Name | N-[1'-Benzyl-4'-piperidinyl]-4-(heptafluorobutyryl)amino-5-chloro-2-methoxybenzamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 569.131616451 u |
| Formula | C24H23ClF7N3O3 |
| InChI | InChI=1S/C24H23ClF7N3O3/c1-38-19-12-18(34-21(37)22(26,27)23(28,29)24(30,31)32)17(25)11-16(19)20(36)33-15-7-9-35(10-8-15)13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13H2,1H3,(H,33,36)(H,34,37) |
| InChIKey | QUVRMZCLTQXYAY-UHFFFAOYSA-N |
| Molecular Weight | 569.908 g/mol |
| SMILES | C(C(C(NC=1C=C(OC)C(=CC1Cl)C(NC1CCN(CC1)CC=1C=CC=CC1)=O)=O)(F)F)(C(F)(F)F)(F)F |