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PB-22 N-(5-chloropentyl) analog

View entire compound with spectra: 3 MS (GC)

PB-22 N-(5-chloropentyl) analog
SpectraBase Compound ID KEFgofyCZsf
InChI InChI=1S/C23H21ClN2O2/c24-13-4-1-5-15-26-16-19(18-10-2-3-11-20(18)26)23(27)28-21-12-6-8-17-9-7-14-25-22(17)21/h2-3,6-12,14,16H,1,4-5,13,15H2
InChIKey GADKCXLLJNLFAY-UHFFFAOYSA-N
Mol Weight 392.89 g/mol
Molecular Formula C23H21ClN2O2
Exact Mass 392.129156 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2iETbBEUp4q
Name 5-Chloro-PB-22
Alternate Name(s) 1-(5-Chloropentyl)-8-quinolinyl ester-1H-indole-3-carboxylic acid 5-Cl-PB-22 quinolin-8-yl 1-(5-chloropentyl)-1H-indole-3-carboxylate
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Formula C23H21ClN2O2
InChI InChI=1S/C23H21ClN2O2/c24-13-4-1-5-15-26-16-19(18-10-2-3-11-20(18)26)23(27)28-21-12-6-8-17-9-7-14-25-22(17)21/h2-3,6-12,14,16H,1,4-5,13,15H2
InChIKey GADKCXLLJNLFAY-UHFFFAOYSA-N
Molecular Weight 392.886 g/mol
SMILES c1(c2c(ccc1)cccn2)OC(c1c[n](c2c1cccc2)CCCCCCl)=O
SPLASH splash10-0002-6890000000-bf8598ecfef63894bbc6
Source of Spectrum SWG-33-4175-0
Wiley ID 1810815