| SpectraBase Spectrum ID |
Cv0jhM0ccyz |
| Name |
(E)-2-[2-(1-n-Butyl-1H-1,2,3-triazol-4-yl)propan-2-yl]-3-(7-chloroheptylidene)-3,4-dihydroisoquinolin-1(2H)-one |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H35ClN4O |
| InChI |
InChI=1S/C25H35ClN4O/c1-4-5-17-29-19-23(27-28-29)25(2,3)30-21(14-9-7-6-8-12-16-26)18-20-13-10-11-15-22(20)24(30)31/h10-11,13-15,19H,4-9,12,16-18H2,1-3H3/b21-14+ |
| InChIKey |
UJWKXYVJMFICMY-KGENOOAVSA-N |
| Instrument Name |
Jeol AccuTOF |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201801324 |
| Molecular Weight |
443.035 g/mol |
| Quality |
92 |
| Reported Formula |
C25H35N4O(35)Cl |
| SMILES |
C1=CC2=C(C\C(=C/CCCCCCCl)N(C2=O)C(C2=CN(CCCC)N=N2)(C)C)C=C1 |
| SPLASH |
splash10-01b9-2900000000-2473caa79add4bd2e1fd |
| Source of Spectrum |
ACI-57-SM31-5ck (DOI: 10.1002/anie.201801324) |
| Wiley ID |
1891090 |
![(E)-2-[2-(1-n-Butyl-1H-1,2,3-triazol-4-yl)propan-2-yl]-3-(7-chloroheptylidene)-3,4-dihydroisoquinolin-1(2H)-one](/api/spectrum/Cv0jhM0ccyz/structure.png?h=300&w=458 "(E)-2-[2-(1-n-Butyl-1H-1,2,3-triazol-4-yl)propan-2-yl]-3-(7-chloroheptylidene)-3,4-dihydroisoquinolin-1(2H)-one")
