| SpectraBase Spectrum ID |
1b0fmMqa1o |
| Name |
2-[{1-(2-Chloropropyl)-1H-1,2,3-triazol-4-yl}methyl]-3-heptylisoquinolin-1(2H)-one |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
400.202989269 u |
| Formula |
C22H29ClN4O |
| InChI |
InChI=1S/C22H29ClN4O/c1-2-3-4-5-6-11-20-15-18-10-7-8-12-21(18)22(28)27(20)17-19-16-26(25-24-19)14-9-13-23/h7-8,10,12,15-16H,2-6,9,11,13-14,17H2,1H3 |
| InChIKey |
BPOIJVDLFSYFAS-UHFFFAOYSA-N |
| Instrument Name |
Jeol AccuTOF |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201801324 |
| Molecular Weight |
400.954 g/mol |
| Quality |
24 |
| Reported Formula |
C22H30(35)ClN4O |
| SMILES |
C1=CC2=C(C=C1)C=C(N(C2=O)CC1=CN(N=N1)CCCCl)CCCCCCC |
| SPLASH |
splash10-0pbd-0892500000-d455a6aa5ecbdb980802 |
| Source of Spectrum |
ACI-57-SM8-3da (DOI: 10.1002/anie.201801324) |
| Wiley ID |
1891076 |
![2-[{1-(2-Chloropropyl)-1H-1,2,3-triazol-4-yl}methyl]-3-heptylisoquinolin-1(2H)-one](/api/spectrum/1b0fmMqa1o/structure.png?h=300&w=458 "2-[{1-(2-Chloropropyl)-1H-1,2,3-triazol-4-yl}methyl]-3-heptylisoquinolin-1(2H)-one")
