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PB-22 7-hydroxyisoquinoline isomer
SpectraBase Compound ID IA7Tt1Ng2kd
InChI InChI=1S/C23H22N2O2/c1-2-3-6-13-25-16-21(20-7-4-5-8-22(20)25)23(26)27-19-10-9-17-11-12-24-15-18(17)14-19/h4-5,7-12,14-16H,2-3,6,13H2,1H3
InChIKey SKNIUESFTXIXQK-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 DAjCPjs9Aw7
Name PB-22 7-Hydroxyisoquinoline isomer
Source of Sample Cayman Chemical Company
Catalog Number 14557
Cell Type Capillary tube
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Formula C23H22N2O2
IUPAC Name Isoquinolin-7-yl 1-pentyl-1H-indole-3-carboxylate
InChI InChI=1S/C23H22N2O2/c1-2-3-6-13-25-16-21(20-7-4-5-8-22(20)25)23(26)27-19-10-9-17-11-12-24-15-18(17)14-19/h4-5,7-12,14-16H,2-3,6,13H2,1H3
InChIKey SKNIUESFTXIXQK-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)Oc1ccc2c(c1)cncc2
Scans Performed 1792
Source of Spectrum Forensic Spectral Research
Technique FT-Raman
UV - Neutral Conditions UVmax (nm): 218, 295