| SpectraBase Spectrum ID |
2z5FuRvzXUD |
| Name |
Tetraethyl 2-(2,4-dinitrophenyl)-2-(3-mercapto-4H-1,2,4-triazol-4-ylamino)ethane-1,1-diyl-diphosphonate |
| Appearance |
Pale yellow |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H28N6O10P2S |
| InChI |
InChI=1S/C18H28N6O10P2S/c1-5-31-35(29,32-6-2)17(36(30,33-7-3)34-8-4)16(21-22-12-19-20-18(22)37)14-10-9-13(23(25)26)11-15(14)24(27)28/h9-12,16-17,21H,5-8H2,1-4H3,(H,20,37) |
| InChIKey |
ZITSWVPMSMCQLE-UHFFFAOYSA-N |
| Instrument Name |
MS-50 Kratos |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.2306 |
| Molecular Weight |
582.462 g/mol |
| SMILES |
Sc1nnc[n]1NC(c1c(cc(cc1)[N+]([O-])=O)[N+]([O-])=O)C(P(=O)(OCC)OCC)P(OCC)(OCC)=O |
| SPLASH |
splash10-001r-3932120000-f001da1c87cd56499dee |
| Source of Spectrum |
Y-53-529-3d |
| Wiley ID |
1876336 |
