| SpectraBase Spectrum ID |
BJr9MsSHVJ |
| Name |
2-[(1-Benzyl-1H-1,2,3-triazol-4-yl)methyl]-3-n-heptylisoquinolin-1(2H)-one |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
414.241961601 u |
| Formula |
C26H30N4O |
| InChI |
InChI=1S/C26H30N4O/c1-2-3-4-5-9-15-24-17-22-14-10-11-16-25(22)26(31)30(24)20-23-19-29(28-27-23)18-21-12-7-6-8-13-21/h6-8,10-14,16-17,19H,2-5,9,15,18,20H2,1H3 |
| InChIKey |
MMQBTFRZKBXWGO-UHFFFAOYSA-N |
| Instrument Name |
Jeol AccuTOF |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201801324 |
| Molecular Weight |
414.553 g/mol |
| Quality |
74 |
| Reported Formula |
C26H30N4O |
| SMILES |
C1=CC2=C(C=C1)C=C(N(C2=O)CC1=CN(N=N1)CC1=CC=CC=C1)CCCCCCC |
| SPLASH |
splash10-0006-9230300000-c35d2c203d85dfb27d51 |
| Source of Spectrum |
ACI-57-SM7-3ca (DOI: 10.1002/anie.201801324) |
| Wiley ID |
1891075 |
![2-[(1-Benzyl-1H-1,2,3-triazol-4-yl)methyl]-3-n-heptylisoquinolin-1(2H)-one](/api/spectrum/BJr9MsSHVJ/structure.png?h=300&w=458 "2-[(1-Benzyl-1H-1,2,3-triazol-4-yl)methyl]-3-n-heptylisoquinolin-1(2H)-one")
