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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

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID BM9bszKAVVa
Name PB-22 8-Hydroxyisoquinoline isomer
Source of Sample Cayman Chemical Company
Catalog Number 14558
Cell Type Neat on gold post
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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
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)Oc1c2c(ccc1)ccnc2
Scans Performed 1856
Source of Spectrum Forensic Spectral Research
Technique FT-Raman
UV - Neutral Conditions UVmax (nm): 216, 293