| SpectraBase Spectrum ID |
3pGEEXirBDJ |
| Name |
(E)-1-(1H-1,2,4-Triazol-1-yl)-1-(4-ethoxyphenylamino)-2-nitro-3,4,4-trichlorobuta-1,3-diene |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H12Cl3N5O3 |
| InChI |
InChI=1S/C14H12Cl3N5O3/c1-2-25-10-5-3-9(4-6-10)20-14(21-8-18-7-19-21)12(22(23)24)11(15)13(16)17/h3-8,20H,2H2,1H3/b14-12+ |
| InChIKey |
JXBBURDQMAXCGB-WYMLVPIESA-N |
| Instrument Name |
Hewlett Packard MS 5989B |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.8.69 |
| Molecular Weight |
404.641 g/mol |
| Reported Formula |
C14H12Cl3N5O3 |
| SMILES |
N(\C([n]1ncnc1)=C\(C(=C(Cl)Cl)Cl)[N+](=O)[O-])c1ccc(cc1)OCC |
| SPLASH |
splash10-03di-0901000000-2b219b3db268686735da |
| Source of Spectrum |
BJO-8-SM6-15 |
| Wiley ID |
1867396 |
