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PB-22 6-hydroxyquinoline isomer
SpectraBase Compound ID LoSpO1CPND2
InChI InChI=1S/C23H22N2O2/c1-2-3-6-14-25-16-20(19-9-4-5-10-22(19)25)23(26)27-18-11-12-21-17(15-18)8-7-13-24-21/h4-5,7-13,15-16H,2-3,6,14H2,1H3
InChIKey KDWWTTHVTXGQLC-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 9qmLFQKg2Wg
Name PB-22 6-Hydroxyquinoline isomer
Source of Sample Cayman Chemical Company
Catalog Number 14519
Cell Type Neat on gold post
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Formula C23H22N2O2
IUPAC Name Quinolin-6-yl 1-pentyl-1H-indole-3-carboxylate
InChI InChI=1S/C23H22N2O2/c1-2-3-6-14-25-16-20(19-9-4-5-10-22(19)25)23(26)27-18-11-12-21-17(15-18)8-7-13-24-21/h4-5,7-13,15-16H,2-3,6,14H2,1H3
InChIKey KDWWTTHVTXGQLC-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 C(c1c[n](c2c1cccc2)CCCCC)(=O)Oc1ccc2c(c1)cccn2
Scans Performed 1792
Source of Spectrum Forensic Spectral Research
Technique FT-Raman
UV - Neutral Conditions UVmax (nm): 216, 292