| SpectraBase Spectrum ID |
BkGf1ZHadpq |
| Name |
3-(4'-Nitrophenyl)-4-(2"-tetrahydropyrimidinyl)-5-(4"'-methylphenyl)isoxazole |
| Alternate Name(s) |
2-[5-(4-methylphenyl)-3-(4-nitrophenyl)-4-isoxazolyl]-1,4,5,6-tetrahydropyrimidine
3-(4'-Nitrophenyl)-4-(2''-tetrahydropyrimidinyl)-5-(4'''-methylphenyl)isoxazole |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H18N4O3 |
| InChI |
InChI=1S/C20H18N4O3/c1-13-3-5-15(6-4-13)19-17(20-21-11-2-12-22-20)18(23-27-19)14-7-9-16(10-8-14)24(25)26/h3-10H,2,11-12H2,1H3,(H,21,22) |
| InChIKey |
MHTBLTLYWDUFOM-UHFFFAOYSA-N |
| Molecular Weight |
362.389 g/mol |
| SMILES |
N1CCCN=C1c1c(onc1-c1ccc(N(=O)=O)cc1)-c1ccc(cc1)C |
| SPLASH |
splash10-03di-0009000000-f2304c3f8a104fa34625 |
| Source of Spectrum |
SK-21-1173-5 |
| Wiley ID |
851689 |
