| SpectraBase Spectrum ID |
JzZ8JkRWxZG |
| Name |
1,1'(Sulfonylbis(4,1-phenylene))bis(3-acetyl-7-methyl[1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one) |
| Appearance |
Pale green solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H22N8O6S |
| InChI |
InChI=1S/C28H22N8O6S/c1-15-13-23(39)33-25(17(3)37)31-35(27(33)29-15)19-5-9-21(10-6-19)43(41,42)22-11-7-20(8-12-22)36-28-30-16(2)14-24(40)34(28)26(32-36)18(4)38/h5-14H,1-4H3 |
| InChIKey |
XHUPCDGKIMXLFX-UHFFFAOYSA-N |
| Instrument Name |
Shimadzu GC-MS QP 1000 EX |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.2320 |
| Molecular Weight |
598.594 g/mol |
| SMILES |
c1c(N2N=C(C(=O)C)N3C(=O)C=C(C)N=C23)ccc(S(c2ccc(N3C4=NC(C)=CC(=O)N4C(C(=O)C)=N3)cc2)(=O)=O)c1 |
| SPLASH |
splash10-0lya-8449910000-7dcb8ee012c095126366 |
| Source of Spectrum |
Y-53-260-17b |
| Wiley ID |
1876290 |
![1,1'(Sulfonylbis(4,1-phenylene))bis(3-acetyl-7-methyl[1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one)](/api/spectrum/JzZ8JkRWxZG/structure.png?h=300&w=458 "1,1'(Sulfonylbis(4,1-phenylene))bis(3-acetyl-7-methyl[1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one)")
