SpectraBase Spectrum ID |
2eWet4tM6Xs |
Name |
3-[4-(Benzyloxy)-n-butyl]-2-[(1-n-hexyl-1H-1,2,3-triazol-4-yl)methyl]isoquinolin-1(2H)-one |
Appearance |
White solid |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
472.283826413 u |
Formula |
C29H36N4O2 |
InChI |
InChI=1S/C29H36N4O2/c1-2-3-4-11-18-32-21-26(30-31-32)22-33-27(20-25-15-8-9-17-28(25)29(33)34)16-10-12-19-35-23-24-13-6-5-7-14-24/h5-9,13-15,17,20-21H,2-4,10-12,16,18-19,22-23H2,1H3 |
InChIKey |
IIVBCNPMNMAQGP-UHFFFAOYSA-N |
Instrument Name |
Jeol AccuTOF |
Ionization Type |
EI |
Literature Reference DOI |
10.1002/anie.201801324 |
Molecular Weight |
472.633 g/mol |
Quality |
73 |
Reported Formula |
C29H36N4O2 |
SMILES |
C=1C=CC=2C=C(CCCCOCC3=CC=CC=C3)N(CC=3N=NN(CCCCCC)C3)C(=O)C2C1 |
SPLASH |
splash10-0fr6-9364300000-c6dde28caa170a7c4b7c |
Source of Spectrum |
ACI-57-SM22-3aj (DOI: 10.1002/anie.201801324) |
Wiley ID |
1891069 |