| SpectraBase Spectrum ID |
Bd8iQlAzmZW |
| Name |
N-((1-(4-Chlorobenzyl)-1H-1,2,3-triazol-4-yl)methyl)-5-(3,4-dimethoxyphenyl)isoxazole-3-carboxamide |
| Appearance |
Off-white crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
453.120381840 u |
| Formula |
C22H20ClN5O4 |
| InChI |
InChI=1S/C22H20ClN5O4/c1-30-19-8-5-15(9-21(19)31-2)20-10-18(26-32-20)22(29)24-11-17-13-28(27-25-17)12-14-3-6-16(23)7-4-14/h3-10,13H,11-12H2,1-2H3,(H,24,29) |
| InChIKey |
YFKSXRQVXGDJRJ-UHFFFAOYSA-N |
| Instrument Name |
Agilent Technology |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.2273 |
| Molecular Weight |
453.886 g/mol |
| Quality |
124 |
| SMILES |
N(CC=1N=NN(CC2=CC=C(Cl)C=C2)C1)C(=O)C1=NOC(=C1)C1=CC(=C(C=C1)OC)OC |
| SPLASH |
splash10-00p0-6900200000-6d3341b671382774f517 |
| Source of Spectrum |
Y-52-1746-7h (DOI: 10.1002/jhet.2273) |
| Wiley ID |
1902624 |
