| SpectraBase Spectrum ID |
3QMbUcy1Bhh |
| Name |
BB-22 4-Hydroxyisoquinoline isomer |
| Source of Sample |
Cayman Chemical Company |
| Catalog Number |
14541 |
| Cell Type |
Capillary tube |
| Copyright |
Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H24N2O2 |
| IUPAC Name |
Isoquinolin-4-yl 1-(cyclohexylmethyl)-1H-indole-3-carboxylate |
| InChI |
InChI=1S/C25H24N2O2/c28-25(29-24-15-26-14-19-10-4-5-11-20(19)24)22-17-27(16-18-8-2-1-3-9-18)23-13-7-6-12-21(22)23/h4-7,10-15,17-18H,1-3,8-9,16H2 |
| InChIKey |
RTMDZYWZLPOXLY-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(cnc1)cccc2 |
| Scans Performed |
1792 |
| Source of Spectrum |
Forensic Spectral Research |
| Technique |
FT-Raman |
| UV - Neutral Conditions |
UVmax (nm): 216, 296 |
