| SpectraBase Spectrum ID |
EDXsTiApE |
| Name |
3-n-Heptyl-2-[(1-n-hexyl-1H-1,2,3-triazol-4-yl)methyl]-6-phenylisoquinolin-1(2H)-one |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H40N4O |
| InChI |
InChI=1S/C31H40N4O/c1-3-5-7-9-13-17-29-22-27-21-26(25-15-11-10-12-16-25)18-19-30(27)31(36)35(29)24-28-23-34(33-32-28)20-14-8-6-4-2/h10-12,15-16,18-19,21-23H,3-9,13-14,17,20,24H2,1-2H3 |
| InChIKey |
VPOCJMHRWKQLDT-UHFFFAOYSA-N |
| Instrument Name |
Jeol AccuTOF |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201801324 |
| Molecular Weight |
484.688 g/mol |
| Quality |
128 |
| Reported Formula |
C31H40N4O |
| SMILES |
C1=CC2=C(C=C1C1=CC=CC=C1)C=C(N(C2=O)CC1=CN(N=N1)CCCCCC)CCCCCCC |
| SPLASH |
splash10-007x-5056900000-d184ad6ed0d46cb07e91 |
| Source of Spectrum |
ACI-57-SM11-3fa (DOI: 10.1002/anie.201801324) |
| Wiley ID |
1891077 |
![3-n-Heptyl-2-[(1-n-hexyl-1H-1,2,3-triazol-4-yl)methyl]-6-phenylisoquinolin-1(2H)-one](/api/spectrum/EDXsTiApE/structure.png?h=300&w=458 "3-n-Heptyl-2-[(1-n-hexyl-1H-1,2,3-triazol-4-yl)methyl]-6-phenylisoquinolin-1(2H)-one")
