| SpectraBase Spectrum ID |
KHHdCRtoupQ |
| Name |
2-[(1-n-Hexyl-1H-1,2,3-triazol-4-yl)methyl]-3-(3-phenylpropyl)isoquinolin-1(2H)-one |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
428.257611665 u |
| Formula |
C27H32N4O |
| InChI |
InChI=1S/C27H32N4O/c1-2-3-4-10-18-30-20-24(28-29-30)21-31-25(16-11-14-22-12-6-5-7-13-22)19-23-15-8-9-17-26(23)27(31)32/h5-9,12-13,15,17,19-20H,2-4,10-11,14,16,18,21H2,1H3 |
| InChIKey |
AIIDLTPCNFOSFV-UHFFFAOYSA-N |
| Instrument Name |
Jeol AccuTOF |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201801324 |
| Molecular Weight |
428.580 g/mol |
| Quality |
87 |
| Reported Formula |
C27H32N4O |
| SMILES |
C=1C=CC=2C=C(CCCC3=CC=CC=C3)N(CC=3N=NN(CCCCCC)C3)C(=O)C2C1 |
| SPLASH |
splash10-052r-2809100000-631bcbfe0aae9552b15a |
| Source of Spectrum |
ACI-57-SM21-3ai (DOI: 10.1002/anie.201801324) |
| Wiley ID |
1891068 |
![2-[(1-n-Hexyl-1H-1,2,3-triazol-4-yl)methyl]-3-(3-phenylpropyl)isoquinolin-1(2H)-one](/api/spectrum/KHHdCRtoupQ/structure.png?h=300&w=458 "2-[(1-n-Hexyl-1H-1,2,3-triazol-4-yl)methyl]-3-(3-phenylpropyl)isoquinolin-1(2H)-one")
