![urea, N-[3-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]propyl]-N'-[2-(trifluoromethyl)phenyl]-](/api/spectrum/JIQh5Uam9Qb/structure.png?h=300&w=458 "urea, N-[3-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]propyl]-N'-[2-(trifluoromethyl)phenyl]-")
| SpectraBase Compound ID | 2xqezYMmuEC |
|---|---|
| InChI | InChI=1S/C22H26ClF3N4O/c1-16-7-8-17(23)15-20(16)30-13-11-29(12-14-30)10-4-9-27-21(31)28-19-6-3-2-5-18(19)22(24,25)26/h2-3,5-8,15H,4,9-14H2,1H3,(H2,27,28,31) |
| InChIKey | XIBZRRBVEUWMPD-UHFFFAOYSA-N |
| Mol Weight | 454.93 g/mol |
| Molecular Formula | C22H26ClF3N4O |
| Exact Mass | 454.174724 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | JIQh5Uam9Qb |
|---|---|
| Name | urea, N-[3-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]propyl]-N'-[2-(trifluoromethyl)phenyl]- |
| Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 454.174723661 u |
| Formula | C22H26ClF3N4O |
| InChI | InChI=1S/C22H26ClF3N4O/c1-16-7-8-17(23)15-20(16)30-13-11-29(12-14-30)10-4-9-27-21(31)28-19-6-3-2-5-18(19)22(24,25)26/h2-3,5-8,15H,4,9-14H2,1H3,(H2,27,28,31) |
| InChIKey | XIBZRRBVEUWMPD-UHFFFAOYSA-N |
| Molecular Weight | 454.925 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2021_3801 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/13279090 |