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PB-22 6-hydroxyisoquinoline isomer
SpectraBase Compound ID 6as1sqmadLw
InChI InChI=1S/C23H22N2O2/c1-2-3-6-13-25-16-21(20-7-4-5-8-22(20)25)23(26)27-19-10-9-18-15-24-12-11-17(18)14-19/h4-5,7-12,14-16H,2-3,6,13H2,1H3
InChIKey NFRXBKALAWDUSI-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 DOwFriH7U7Y
Name PB-22 6-Hydroxyisoquinoline isomer
Source of Sample Cayman Chemical Company
Catalog Number 14556
Cell Type Neat on gold post
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Formula C23H22N2O2
IUPAC Name Isoquinolin-6-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)27-19-10-9-18-15-24-12-11-17(18)14-19/h4-5,7-12,14-16H,2-3,6,13H2,1H3
InChIKey NFRXBKALAWDUSI-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)ccnc2
Scans Performed 1920
Source of Spectrum Forensic Spectral Research
Technique FT-Raman
UV - Neutral Conditions UVmax (nm): 219, 293