| 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 |
![3-[4-(Benzyloxy)-n-butyl]-2-[(1-n-hexyl-1H-1,2,3-triazol-4-yl)methyl]isoquinolin-1(2H)-one](/api/spectrum/2eWet4tM6Xs/structure.png?h=300&w=458 "3-[4-(Benzyloxy)-n-butyl]-2-[(1-n-hexyl-1H-1,2,3-triazol-4-yl)methyl]isoquinolin-1(2H)-one")
