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PB-22 8-hydroxyisoquinoline isomer
SpectraBase Compound ID A56scMRnN1u
InChI InChI=1S/C23H22N2O2/c1-2-3-6-14-25-16-20(18-9-4-5-10-21(18)25)23(26)27-22-11-7-8-17-12-13-24-15-19(17)22/h4-5,7-13,15-16H,2-3,6,14H2,1H3
InChIKey FCEZWMICUGXUDA-UHFFFAOYSA-N
Mol Weight 358.44 g/mol
Molecular Formula C23H22N2O2
Exact Mass 358.168128 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 202aD1lrlwr
Name PB-22 8-hydroxyisoquinoline isomer
Source of Sample Cayman Chemical Company
Catalog Number 14558
Lot Number 0448536-14
Accessory DurasamplIR II
Apodization Function Norton-Beer, medium
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Formula C23H22N2O2
IUPAC Name Isoquinolin-8-yl 1-pentyl-1H-indole-3-carboxylate
InChI InChI=1S/C23H22N2O2/c1-2-3-6-14-25-16-20(18-9-4-5-10-21(18)25)23(26)27-22-11-7-8-17-12-13-24-15-19(17)22/h4-5,7-13,15-16H,2-3,6,14H2,1H3
InChIKey FCEZWMICUGXUDA-UHFFFAOYSA-N
Instrument Name Bio-Rad FTS
Molecular Weight 358.441 g/mol
Purity >=98%
SMILES c12c(c[n](c2cccc1)CCCCC)C(=O)Oc1c2c(ccc1)ccnc2
Scan Speed (number) 5
Solvent Dichloromethane
Source of Spectrum Forensic Spectral Research
Technique ATR-Film
UV - Neutral Conditions UVmax (nm): 216, 293