| SpectraBase Spectrum ID |
4pVjrcXKMID |
| Name |
5-Amino-1-(3,5-dichloro-4-(4-chlorobenzoyl)benzyl)-1H-1,2,3-triazole-4-carboxamide |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
423.005657744 u |
| Formula |
C17H12Cl3N5O2 |
| InChI |
InChI=1S/C17H12Cl3N5O2/c18-10-3-1-9(2-4-10)15(26)13-11(19)5-8(6-12(13)20)7-25-16(21)14(17(22)27)23-24-25/h1-6H,7,21H2,(H2,22,27) |
| InChIKey |
WNRZHQBJSXRYJK-UHFFFAOYSA-N |
| Instrument Name |
Hewlett-Packard 6890 or 5890 Series II |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201704400 |
| Molecular Weight |
424.675 g/mol |
| Quality |
85 |
| Reported Formula |
C17H12Cl3N5O2 |
| SMILES |
NC1=C(C(=O)N)N=NN1CC1=CC(=C(C(=C1)Cl)C(C1=CC=C(C=C1)Cl)=O)Cl |
| SPLASH |
splash10-004i-0815900000-b272a6ae6b9a7ee25822 |
| Source of Spectrum |
ACI-56-SM23-18 (DOI: 10.1002/anie.201704400) |
| Wiley ID |
1896181 |
