| SpectraBase Spectrum ID |
4UXOQm6VIpN |
| Name |
3-Benzyl-6-(dimethylamino)-2-[(1-n-hexyl-1H-1,2,3-triazol-4-yl)methyl]-4-n-propylisoquinolin-1(2H)-one |
| Appearance |
Off-white solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H39N5O |
| InChI |
InChI=1S/C30H39N5O/c1-5-7-8-12-18-34-21-24(31-32-34)22-35-29(19-23-14-10-9-11-15-23)26(13-6-2)28-20-25(33(3)4)16-17-27(28)30(35)36/h9-11,14-17,20-21H,5-8,12-13,18-19,22H2,1-4H3 |
| InChIKey |
BCCFUTPSNOJIPN-UHFFFAOYSA-N |
| Instrument Name |
Jeol AccuTOF |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201904110 |
| Molecular Weight |
485.676 g/mol |
| Reported Formula |
C30H39N5O |
| SMILES |
c1cc2c(cc1N(C)C)C(=C(N(C2=O)Cc1c[n](nn1)CCCCCC)Cc1ccccc1)CCC |
| SPLASH |
splash10-00r6-1049500000-efaf81c3f2f83d64beec |
| Source of Spectrum |
ACI-58-SM16-3oa |
| Wiley ID |
1875466 |
![3-Benzyl-6-(dimethylamino)-2-[(1-n-hexyl-1H-1,2,3-triazol-4-yl)methyl]-4-n-propylisoquinolin-1(2H)-one](/api/spectrum/4UXOQm6VIpN/structure.png?h=300&w=458 "3-Benzyl-6-(dimethylamino)-2-[(1-n-hexyl-1H-1,2,3-triazol-4-yl)methyl]-4-n-propylisoquinolin-1(2H)-one")
