| SpectraBase Spectrum ID |
8Pg1mdPFHE4 |
| Name |
7-n-Heptyl-6-[(1-n-hexyl-1H-1,2,3-triazol-4-yl)methyl]-[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-one |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
452.278741032 u |
| Formula |
C26H36N4O3 |
| InChI |
InChI=1S/C26H36N4O3/c1-3-5-7-9-10-12-22-14-20-15-24-25(33-19-32-24)16-23(20)26(31)30(22)18-21-17-29(28-27-21)13-11-8-6-4-2/h14-17H,3-13,18-19H2,1-2H3 |
| InChIKey |
CYTAQWRRHSELCN-UHFFFAOYSA-N |
| Instrument Name |
Jeol AccuTOF |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201801324 |
| Molecular Weight |
452.599 g/mol |
| Reported Formula |
C26H36N4O3 |
| SMILES |
C=12C(=CC=3C=C(CCCCCCC)N(CC=4N=NN(CCCCCC)C4)C(=O)C3C1)OCO2 |
| SPLASH |
splash10-0udr-0084900000-4626a8a02d9752370fe3 |
| Source of Spectrum |
ACI-57-SM18-3pa' (DOI: 10.1002/anie.201801324) |
| Wiley ID |
1891086 |
![7-n-Heptyl-6-[(1-n-hexyl-1H-1,2,3-triazol-4-yl)methyl]-[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-one](/api/spectrum/8Pg1mdPFHE4/structure.png?h=300&w=458 "7-n-Heptyl-6-[(1-n-hexyl-1H-1,2,3-triazol-4-yl)methyl]-[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-one")
