| SpectraBase Spectrum ID |
3CSKX7LRx4g |
| Name |
Tetraethyl (6-(4-nitrophenyl)-5,6-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-methylenediphosphonate |
| Appearance |
Pale yellow crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H27N5O8P2S |
| InChI |
InChI=1S/C18H27N5O8P2S/c1-5-28-32(26,29-6-2)16(33(27,30-7-3)31-8-4)18(21-22-13-19-20-17(22)34-18)14-9-11-15(12-10-14)23(24)25/h9-13,16,21H,5-8H2,1-4H3 |
| InChIKey |
MSOQVVMBGFPDRF-UHFFFAOYSA-N |
| Instrument Name |
MS-50 Kratos |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.2306 |
| Molecular Weight |
535.449 g/mol |
| SMILES |
N1[n]2c(SC1(c1ccc(cc1)[N+]([O-])=O)C(P(=O)(OCC)OCC)P(OCC)(=O)OCC)nnc2 |
| SPLASH |
splash10-0f9i-4190310000-6cda10976c0e6df6248e |
| Source of Spectrum |
Y-53-530-4c |
| Wiley ID |
1876339 |
![Tetraethyl (6-(4-nitrophenyl)-5,6-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-methylenediphosphonate](/api/spectrum/3CSKX7LRx4g/structure.png?h=300&w=458 "Tetraethyl (6-(4-nitrophenyl)-5,6-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-methylenediphosphonate")
