| SpectraBase Spectrum ID |
4f5AejlX3HT |
| Name |
3-n-Heptyl-2-[(1-n-octyl-1H-1,2,3-triazol-4-yl)methyl]isoquinolin-1(2H)-one |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H40N4O |
| InChI |
InChI=1S/C27H40N4O/c1-3-5-7-9-11-15-19-30-21-24(28-29-30)22-31-25(17-12-10-8-6-4-2)20-23-16-13-14-18-26(23)27(31)32/h13-14,16,18,20-21H,3-12,15,17,19,22H2,1-2H3 |
| InChIKey |
YSZWWKNTLFEYRN-UHFFFAOYSA-N |
| Instrument Name |
Jeol AccuTOF |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201801324 |
| Molecular Weight |
436.644 g/mol |
| Quality |
15 |
| Reported Formula |
C27H40N4O |
| SMILES |
C1=CC2=C(C=C1)C=C(N(C2=O)CC1=CN(N=N1)CCCCCCCC)CCCCCCC |
| SPLASH |
splash10-0a4r-0837900000-0bf32d86ca69016e9bfa |
| Source of Spectrum |
ACI-57-SM7-3ba (DOI: 10.1002/anie.201801324) |
| Wiley ID |
1891074 |
![3-n-Heptyl-2-[(1-n-octyl-1H-1,2,3-triazol-4-yl)methyl]isoquinolin-1(2H)-one](/api/spectrum/4f5AejlX3HT/structure.png?h=300&w=458 "3-n-Heptyl-2-[(1-n-octyl-1H-1,2,3-triazol-4-yl)methyl]isoquinolin-1(2H)-one")
