| SpectraBase Spectrum ID |
F3y8bEP0ROD |
| Name |
Ethyl 5-(diallylamino)-1-(3,5-dichloro-4-(4-chlorobenzoyl)benzyl)-1H-1,2,3-triazole-4-carboxylate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
532.083573714 u |
| Formula |
C25H23Cl3N4O3 |
| InChI |
InChI=1S/C25H23Cl3N4O3/c1-4-11-31(12-5-2)24-22(25(34)35-6-3)29-30-32(24)15-16-13-19(27)21(20(28)14-16)23(33)17-7-9-18(26)10-8-17/h4-5,7-10,13-14H,1-2,6,11-12,15H2,3H3 |
| InChIKey |
XWTZNTBUAPLWLT-UHFFFAOYSA-N |
| Instrument Name |
Hewlett-Packard 6890 or 5890 Series II |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201704400 |
| Molecular Weight |
533.843 g/mol |
| Quality |
135 |
| Reported Formula |
C25H23Cl3N4O3 |
| SMILES |
C(C)OC(=O)C=1N=NN(C1N(CC=C)CC=C)CC1=CC(=C(C(=C1)Cl)C(C1=CC=C(C=C1)Cl)=O)Cl |
| SPLASH |
splash10-0005-8691100000-fd81f3c408358ad5e156 |
| Source of Spectrum |
ACI-56-SM22-24 (DOI: 10.1002/anie.201704400) |
| Wiley ID |
1896186 |
