| SpectraBase Spectrum ID |
FPGbfdNwoM0 |
| Name |
3-butyl-2-[(1R)-2-hydroxy-1-phenyl-ethyl]isoquinolin-1-one |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
321.172878983 u |
| Formula |
C21H23NO2 |
| InChI |
InChI=1S/C21H23NO2/c1-2-3-12-18-14-17-11-7-8-13-19(17)21(24)22(18)20(15-23)16-9-5-4-6-10-16/h4-11,13-14,20,23H,2-3,12,15H2,1H3/t20-/m0/s1 |
| InChIKey |
KOBBHTFREKMJRX-FQEVSTJZSA-N |
| Instrument Name |
Finnigan MAT 8200 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201503403 |
| Optical Rotation |
[a]D20 = +209.3 (c = 0.89, CHCl3) |
| Quality |
451 |
| Reported Formula |
C21H23NO2 |
| SMILES |
OC[C@](N1C(C=2C=CC=CC2C=C1CCCC)=O)(C1=CC=CC=C1)[H] |
| SPLASH |
splash10-0pb9-1951000000-c6600942f8593f735c96 |
| Source of Spectrum |
QE-22-SM27-55 (DOI: 10.1002/chem.201503403) |
| Wiley ID |
1902927 |
![3-butyl-2-[(1R)-2-hydroxy-1-phenyl-ethyl]isoquinolin-1-one](/api/spectrum/FPGbfdNwoM0/structure.png?h=300&w=458 "3-butyl-2-[(1R)-2-hydroxy-1-phenyl-ethyl]isoquinolin-1-one")
