| SpectraBase Spectrum ID |
Cj3ZpFCHBDB |
| Name |
Ethyl 5-amino-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 |
452.020973456 u |
| Formula |
C19H15Cl3N4O3 |
| InChI |
InChI=1S/C19H15Cl3N4O3/c1-2-29-19(28)16-18(23)26(25-24-16)9-10-7-13(21)15(14(22)8-10)17(27)11-3-5-12(20)6-4-11/h3-8H,2,9,23H2,1H3 |
| InChIKey |
OPWIALCJVABMSS-UHFFFAOYSA-N |
| Instrument Name |
Hewlett-Packard 6890 or 5890 Series II |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201704400 |
| Molecular Weight |
453.713 g/mol |
| Quality |
107 |
| Reported Formula |
C19H15Cl3N4O3 |
| SMILES |
NC1=C(C(OCC)=O)N=NN1CC1=CC(=C(C(=C1)Cl)C(C1=CC=C(C=C1)Cl)=O)Cl |
| SPLASH |
splash10-0ug0-0339100000-b66f7684c41f45da0c0e |
| Source of Spectrum |
ACI-56-SM23-23-1 (DOI: 10.1002/anie.201704400) |
| Wiley ID |
1896185 |
