| SpectraBase Spectrum ID |
8ScgOovGfXi |
| Name |
(E)-2-[2-(1-n-Butyl-1H-1,2,3-triazol-4-yl)propan-2-yl]-3-heptylidene-3,4-dihydroisoquinolin-1(2H)-one |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
408.288911794 u |
| Formula |
C25H36N4O |
| InChI |
InChI=1S/C25H36N4O/c1-5-7-9-10-11-15-21-18-20-14-12-13-16-22(20)24(30)29(21)25(3,4)23-19-28(27-26-23)17-8-6-2/h12-16,19H,5-11,17-18H2,1-4H3/b21-15+ |
| InChIKey |
LTQLJOVJTLJKSG-RCCKNPSSSA-N |
| Instrument Name |
Jeol AccuTOF |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201801324 |
| Molecular Weight |
408.590 g/mol |
| Quality |
97 |
| Reported Formula |
C25H36N4O |
| SMILES |
C1=CC2=C(C=C1)C\C(N(C2=O)C(C1=CN(N=N1)CCCC)(C)C)=C/CCCCCC |
| SPLASH |
splash10-06di-2900000000-ec6c97252872e61b008e |
| Source of Spectrum |
ACI-57-SM9-5ca (DOI: 10.1002/anie.201801324) |
| Wiley ID |
1891089 |
![(E)-2-[2-(1-n-Butyl-1H-1,2,3-triazol-4-yl)propan-2-yl]-3-heptylidene-3,4-dihydroisoquinolin-1(2H)-one](/api/spectrum/8ScgOovGfXi/structure.png?h=300&w=458 "(E)-2-[2-(1-n-Butyl-1H-1,2,3-triazol-4-yl)propan-2-yl]-3-heptylidene-3,4-dihydroisoquinolin-1(2H)-one")
