| SpectraBase Spectrum ID |
9io0sXHMbo5 |
| Name |
BB-22 5-Hydroxyisoquinoline isomer |
| Source of Sample |
Cayman Chemical Company |
| Catalog Number |
14542 |
| Cell Type |
Capillary tube |
| Copyright |
Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H24N2O2 |
| IUPAC Name |
Isoquinolin-5-yl 1-(cyclohexylmethyl)-1H-indole-3-carboxylate |
| InChI |
InChI=1S/C25H24N2O2/c28-25(29-24-12-6-9-19-15-26-14-13-20(19)24)22-17-27(16-18-7-2-1-3-8-18)23-11-5-4-10-21(22)23/h4-6,9-15,17-18H,1-3,7-8,16H2 |
| InChIKey |
DHMVYHJPXDPMDX-UHFFFAOYSA-N |
| Molecular Weight |
384.479 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)CC1CCCCC1)C(=O)Oc1c2c(ccc1)cncc2 |
| Scans Performed |
1536 |
| Source of Spectrum |
Forensic Spectral Research |
| Technique |
FT-Raman |
| UV - Neutral Conditions |
UVmax (nm): 217, 294 |
