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PB-22 5-hydroxyisoquinoline isomer
SpectraBase Compound ID JKACutQgnYD
InChI InChI=1S/C23H22N2O2/c1-2-3-6-14-25-16-20(19-9-4-5-10-21(19)25)23(26)27-22-11-7-8-17-15-24-13-12-18(17)22/h4-5,7-13,15-16H,2-3,6,14H2,1H3
InChIKey GFCQZKDLFJNMPV-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 2uXBNYvs4qQ
Name PB-22 5-hydroxyisoquinoline isomer
Source of Sample Cayman Chemical Company
Catalog Number 14555
Lot Number 0448533-9
Accessory DurasamplIR II
Apodization Function Norton-Beer, medium
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Formula C23H22N2O2
IUPAC Name Isoquinolin-5-yl 1-pentyl-1H-indole-3-carboxylate
InChI InChI=1S/C23H22N2O2/c1-2-3-6-14-25-16-20(19-9-4-5-10-21(19)25)23(26)27-22-11-7-8-17-15-24-13-12-18(17)22/h4-5,7-13,15-16H,2-3,6,14H2,1H3
InChIKey GFCQZKDLFJNMPV-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)cncc2
Scan Speed (number) 5
Source of Spectrum Forensic Spectral Research
Technique ATR-Neat
UV - Neutral Conditions UVmax (nm): 217, 295