| SpectraBase Spectrum ID |
KeWUPpmnQBy |
| Name |
3-(2-Thienyl)-5-(4-nitrophenyl)-4-(pyrimidin-2-yl)isoxazole |
| Alternate Name(s) |
3-(2-Thienyl)-5-(4-nitrophenyl)-4-(1,4,5,6-tetrahydro-pyrimidin-2-yl)isoxazole |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H14N4O3S |
| InChI |
InChI=1S/C17H14N4O3S/c22-21(23)12-6-4-11(5-7-12)16-14(17-18-8-2-9-19-17)15(20-24-16)13-3-1-10-25-13/h1,3-7,10H,2,8-9H2,(H,18,19) |
| InChIKey |
OVTYYUNGFKWDRS-UHFFFAOYSA-N |
| Molecular Weight |
354.384 g/mol |
| SMILES |
N1CCCN=C1c1c(noc1-c1ccc(N(=O)=O)cc1)-c1sccc1 |
| SPLASH |
splash10-0udi-0009000000-097e4db7095102749625 |
| Source of Spectrum |
CV-0-332-7 |
| Wiley ID |
849031 |
