| SpectraBase Spectrum ID |
8eSeg6hmjjZ |
| Name |
Tetraethyl (6-(3-chlorophenyl)-5,6-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-methylenediphosphonate |
| Appearance |
Colorless crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H27ClN4O6P2S |
| InChI |
InChI=1S/C18H27ClN4O6P2S/c1-5-26-30(24,27-6-2)16(31(25,28-7-3)29-8-4)18(14-10-9-11-15(19)12-14)22-23-13-20-21-17(23)32-18/h9-13,16,22H,5-8H2,1-4H3 |
| InChIKey |
UYRHWNQACAKAHL-UHFFFAOYSA-N |
| Instrument Name |
MS-50 Kratos |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.2306 |
| Molecular Weight |
524.897 g/mol |
| SMILES |
N1[n]2c(SC1(c1cccc(c1)Cl)C(P(=O)(OCC)OCC)P(OCC)(=O)OCC)nnc2 |
| SPLASH |
splash10-0f9i-3190310000-d148d77265b112c9f8f2 |
| Source of Spectrum |
Y-53-530-4f |
| Wiley ID |
1876341 |
![Tetraethyl (6-(3-chlorophenyl)-5,6-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-methylenediphosphonate](/api/spectrum/8eSeg6hmjjZ/structure.png?h=300&w=458 "Tetraethyl (6-(3-chlorophenyl)-5,6-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-methylenediphosphonate")
