| SpectraBase Spectrum ID |
CRZtOEGMLrO |
| Name |
3-Acetyl-7-(4-fluorophenyl)-5-oxo-1-phenyl-1,5-dihydro-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile |
| Appearance |
Yellowish white crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
373.097502807 u |
| Formula |
C20H12FN5O2 |
| InChI |
InChI=1S/C20H12FN5O2/c1-12(27)18-24-26(15-5-3-2-4-6-15)20-23-17(13-7-9-14(21)10-8-13)16(11-22)19(28)25(18)20/h2-10H,1H3 |
| InChIKey |
SPVPBGQACDMWCK-UHFFFAOYSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1016/j.rechem.2023.101163 |
| Molecular Weight |
373.347 g/mol |
| Quality |
26 |
| SMILES |
C(C)(=O)C1=NN(C=2N1C(C(=C(N2)C1=CC=C(C=C1)F)C#N)=O)C1=CC=CC=C1 |
| SPLASH |
splash10-0006-9000000000-e32b6421e1d6d9a52f18 |
| Source of Spectrum |
REC-6-11-3b (DOI: 10.1016/j.rechem.2023.101163) |
| Wiley ID |
1911882 |
![3-Acetyl-7-(4-fluorophenyl)-5-oxo-1-phenyl-1,5-dihydro-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile](/api/spectrum/CRZtOEGMLrO/structure.png?h=300&w=458 "3-Acetyl-7-(4-fluorophenyl)-5-oxo-1-phenyl-1,5-dihydro-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile")
