| SpectraBase Spectrum ID |
DAjCPjs9Aw7 |
| Name |
PB-22 7-Hydroxyisoquinoline isomer |
| Source of Sample |
Cayman Chemical Company |
| Catalog Number |
14557 |
| Cell Type |
Capillary tube |
| Copyright |
Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H22N2O2 |
| IUPAC Name |
Isoquinolin-7-yl 1-pentyl-1H-indole-3-carboxylate |
| InChI |
InChI=1S/C23H22N2O2/c1-2-3-6-13-25-16-21(20-7-4-5-8-22(20)25)23(26)27-19-10-9-17-11-12-24-15-18(17)14-19/h4-5,7-12,14-16H,2-3,6,13H2,1H3 |
| InChIKey |
SKNIUESFTXIXQK-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)Oc1ccc2c(c1)cncc2 |
| Scans Performed |
1792 |
| Source of Spectrum |
Forensic Spectral Research |
| Technique |
FT-Raman |
| UV - Neutral Conditions |
UVmax (nm): 218, 295 |
