SpectraBase Spectrum ID |
7AKOxLWWDeS |
Name |
2-[2-(1-Benzyl-1H-1,2,3-triazol-4-yl)propan-2-yl]-6-chloroisoquinolin-1(2H)-one |
Appearance |
Yellowish solid |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
378.124738947 u |
Formula |
C21H19ClN4O |
InChI |
InChI=1S/C21H19ClN4O/c1-21(2,19-14-25(24-23-19)13-15-6-4-3-5-7-15)26-11-10-16-12-17(22)8-9-18(16)20(26)27/h3-12,14H,13H2,1-2H3 |
InChIKey |
LKYCHEXMGYVHGK-UHFFFAOYSA-N |
Instrument Name |
Finnigan MAT 95 |
Ionization Type |
EI |
Literature Reference DOI |
10.1002/chem.201700587 |
Molecular Weight |
378.863 g/mol |
Quality |
108 |
Reported Formula |
C21H19ClN4O |
SMILES |
C1(N(C=CC2=C1C=CC(=C2)Cl)C(C=1N=NN(CC2=CC=CC=C2)C1)(C)C)=O |
SPLASH |
splash10-0006-9151000000-0f219a6efeef1bc10028 |
Source of Spectrum |
QE-23-SM28-5jd (DOI: 10.1002/chem.201700587) |
Wiley ID |
1903725 |