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3-n-Butyl-1-methyl-4-(p-tolyl)isoquinoline
SpectraBase Compound ID 2CC33ZJRDrh
InChI InChI=1S/C21H23N/c1-4-5-10-20-21(17-13-11-15(2)12-14-17)19-9-7-6-8-18(19)16(3)22-20/h6-9,11-14H,4-5,10H2,1-3H3
InChIKey VJAIVMCYMHXCEO-UHFFFAOYSA-N
Mol Weight 289.42 g/mol
Molecular Formula C21H23N
Exact Mass 289.18305 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IIXbDenw3Xn
Name 3-n-Butyl-1-methyl-4-(p-tolyl)isoquinoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23N
InChI InChI=1S/C21H23N/c1-4-5-10-20-21(17-13-11-15(2)12-14-17)19-9-7-6-8-18(19)16(3)22-20/h6-9,11-14H,4-5,10H2,1-3H3
InChIKey VJAIVMCYMHXCEO-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo301768b
Molecular Weight 289.422 g/mol
SMILES c1cccc2c1c(nc(c2-c1ccc(cc1)C)CCCC)C
SPLASH splash10-0002-0090000000-404ed0dc0c5d353a1ef7
Source of Spectrum J-77-9196-3ak'
Synonyms 3-Butyl-1-methyl-4-(p-tolyl)isoquinoline 3-Butyl-1-methyl-4-(4-methylphenyl)isoquinoline
Wiley ID 1747130