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BB-22 7-hydroxyisoquinoline isomer
SpectraBase Compound ID 6DxlLmjVU7t
InChI InChI=1S/C25H24N2O2/c28-25(29-21-11-10-19-12-13-26-15-20(19)14-21)23-17-27(16-18-6-2-1-3-7-18)24-9-5-4-8-22(23)24/h4-5,8-15,17-18H,1-3,6-7,16H2
InChIKey KBKSDHBJEYHUNZ-UHFFFAOYSA-N
Mol Weight 384.48 g/mol
Molecular Formula C25H24N2O2
Exact Mass 384.183778 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 3crM4weR9Gg
Name BB-22 7-Hydroxyisoquinoline isomer
Source of Sample Cayman Chemical Company
Catalog Number 14544
Cell Type Capillary tube
Copyright Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H24N2O2
IUPAC Name Isoquinolin-7-yl 1-(cyclohexylmethyl)-1H-indole-3-carboxylate
InChI InChI=1S/C25H24N2O2/c28-25(29-21-11-10-19-12-13-26-15-20(19)14-21)23-17-27(16-18-6-2-1-3-7-18)24-9-5-4-8-22(23)24/h4-5,8-15,17-18H,1-3,6-7,16H2
InChIKey KBKSDHBJEYHUNZ-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)Oc1ccc2c(c1)cncc2
Scans Performed 2048
Source of Spectrum Forensic Spectral Research
Technique FT-Raman
UV - Neutral Conditions UVmax (nm): 217, 295