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4-(Phenylthio)-3-(p-tolyl)isoquinoline

View entire compound with spectra: 1 MS (GC)

4-(Phenylthio)-3-(p-tolyl)isoquinoline
SpectraBase Compound ID K5ho8fwSY4s
InChI InChI=1S/C22H17NS/c1-16-11-13-17(14-12-16)21-22(24-19-8-3-2-4-9-19)20-10-6-5-7-18(20)15-23-21/h2-15H,1H3
InChIKey MLMNBJRVOAICEF-UHFFFAOYSA-N
Mol Weight 327.45 g/mol
Molecular Formula C22H17NS
Exact Mass 327.108171 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3nRJscY0GtV
Name 4-(Phenylthio)-3-(p-tolyl)isoquinoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H17NS
InChI InChI=1S/C22H17NS/c1-16-11-13-17(14-12-16)21-22(24-19-8-3-2-4-9-19)20-10-6-5-7-18(20)15-23-21/h2-15H,1H3
InChIKey MLMNBJRVOAICEF-UHFFFAOYSA-N
Molecular Weight 327.445 g/mol
SMILES c1(c(ncc2c1cccc2)-c1ccc(cc1)C)Sc1ccccc1
SPLASH splash10-0fb9-0097000000-b47ae918c3bc1bb54249
Source of Spectrum F4-43-1224-10
Wiley ID 1675549