| SpectraBase Spectrum ID |
1zpAP8h7YWZ |
| Name |
6-Iodo-3-((6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl)methoxy)-2-phenylquinazolin-4(3H)-one |
| Appearance |
Brown crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H16IN7O4S |
| InChI |
InChI=1S/C25H16IN7O4S/c26-17-8-11-20-19(12-17)24(34)32(23(27-20)16-4-2-1-3-5-16)37-13-22-28-29-25-31(22)30-21(14-38-25)15-6-9-18(10-7-15)33(35)36/h1-12H,13-14H2 |
| InChIKey |
ZMFCUSOVGVSJFM-UHFFFAOYSA-N |
| Instrument Name |
Shimadzu QP-1000EX |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.4096 |
| Molecular Weight |
637.412 g/mol |
| SMILES |
c1(I)cc2c(cc1)N=C(N(C2=O)OCc1nnc2SCC(=N[n]12)c1ccc(cc1)[N+](=O)[O-])c1ccccc1 |
| SPLASH |
splash10-0002-0009000000-b482c10dd4df7f1fb4b6 |
| Source of Spectrum |
Y-57-3904-17 |
| Wiley ID |
1859877 |
![6-Iodo-3-((6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl)methoxy)-2-phenylquinazolin-4(3H)-one](/api/spectrum/1zpAP8h7YWZ/structure.png?h=300&w=458 "6-Iodo-3-((6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl)methoxy)-2-phenylquinazolin-4(3H)-one")
