| SpectraBase Spectrum ID |
1a1xfql2gNK |
| Name |
PB-22 4-Hydroxyisoquinoline isomer |
| Source of Sample |
Cayman Chemical Company |
| Catalog Number |
14554 |
| Cell Type |
Capillary tube |
| Copyright |
Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H22N2O2 |
| IUPAC Name |
Isoquinolin-4-yl 1-pentyl-1H-indole-3-carboxylate |
| InChI |
InChI=1S/C23H22N2O2/c1-2-3-8-13-25-16-20(19-11-6-7-12-21(19)25)23(26)27-22-15-24-14-17-9-4-5-10-18(17)22/h4-7,9-12,14-16H,2-3,8,13H2,1H3 |
| InChIKey |
JGSBWZAKRSPZEM-UHFFFAOYSA-N |
| Molecular Weight |
358.441 g/mol |
| Purity |
>=98% |
| Raman Corrections |
Referenced to internal white light source; 180 degree backscatter |
| Raman Laser Source |
Nd:YAG |
| SMILES |
c12c(c[n](c2cccc1)CCCCC)C(=O)Oc1c2c(cnc1)cccc2 |
| Scans Performed |
2112 |
| Source of Spectrum |
Forensic Spectral Research |
| Technique |
FT-Raman |
| UV - Neutral Conditions |
UVmax (nm): 216, 295 |
