![7-(4-bromophenyl)-2-(3-hydroxypropyl)-5-methyl-N-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide](/api/spectrum/EOxfHTDpmrL/structure.png?h=300&w=458 "7-(4-bromophenyl)-2-(3-hydroxypropyl)-5-methyl-N-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide")
| SpectraBase Compound ID | 4nIEL4QBVtc |
|---|---|
| InChI | InChI=1S/C22H22BrN5O2/c1-14-19(21(30)25-17-6-3-2-4-7-17)20(15-9-11-16(23)12-10-15)28-22(24-14)26-18(27-28)8-5-13-29/h2-4,6-7,9-12,20,29H,5,8,13H2,1H3,(H,25,30)(H,24,26,27) |
| InChIKey | QYSVFPALUBBMBS-UHFFFAOYSA-N |
| Mol Weight | 468.36 g/mol |
| Molecular Formula | C22H22BrN5O2 |
| Exact Mass | 467.095688 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | EOxfHTDpmrL |
|---|---|
| Name | 7-(4-bromophenyl)-2-(3-hydroxypropyl)-5-methyl-N-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 467.095687966 u |
| Formula | C22H22BrN5O2 |
| InChI | InChI=1S/C22H22BrN5O2/c1-14-19(21(30)25-17-6-3-2-4-7-17)20(15-9-11-16(23)12-10-15)28-22(24-14)26-18(27-28)8-5-13-29/h2-4,6-7,9-12,20,29H,5,8,13H2,1H3,(H,25,30)(H,24,26,27) |
| InChIKey | QYSVFPALUBBMBS-UHFFFAOYSA-N |
| Molecular Weight | 468.355 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_2587 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12279684 |