| SpectraBase Spectrum ID |
LtdUItJseDn |
| Name |
3-(Cyclohexylmethyl)-2-[(1-n-hexyl-1H-1,2,3-triazol-4-yl)methyl]-4-n-propylisoquinolin-1(2H)-one |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H40N4O |
| InChI |
InChI=1S/C28H40N4O/c1-3-5-6-12-18-31-20-23(29-30-31)21-32-27(19-22-14-8-7-9-15-22)25(13-4-2)24-16-10-11-17-26(24)28(32)33/h10-11,16-17,20,22H,3-9,12-15,18-19,21H2,1-2H3 |
| InChIKey |
OXYFXIPVPCDJGS-UHFFFAOYSA-N |
| Instrument Name |
Jeol AccuTOF |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201904110 |
| Molecular Weight |
448.655 g/mol |
| Reported Formula |
C28H40N4O |
| SMILES |
c1cc2c(cc1)C(=C(N(C2=O)Cc1c[n](nn1)CCCCCC)CC1CCCCC1)CCC |
| SPLASH |
splash10-0v5a-0293300000-39824eacffe662091f89 |
| Source of Spectrum |
ACI-58-SM26-3ag |
| Wiley ID |
1875456 |
![3-(Cyclohexylmethyl)-2-[(1-n-hexyl-1H-1,2,3-triazol-4-yl)methyl]-4-n-propylisoquinolin-1(2H)-one](/api/spectrum/LtdUItJseDn/structure.png?h=300&w=458 "3-(Cyclohexylmethyl)-2-[(1-n-hexyl-1H-1,2,3-triazol-4-yl)methyl]-4-n-propylisoquinolin-1(2H)-one")
