For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
4-n-Butyl-1-methyl-3-(p-tolyl)isoquinoline
SpectraBase Compound ID 6Bw3J34GQme
InChI InChI=1S/C21H23N/c1-4-5-8-20-19-10-7-6-9-18(19)16(3)22-21(20)17-13-11-15(2)12-14-17/h6-7,9-14H,4-5,8H2,1-3H3
InChIKey XLLPGZINTLLOBG-UHFFFAOYSA-N
Mol Weight 289.42 g/mol
Molecular Formula C21H23N
Exact Mass 289.18305 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID LfT6CKTON9G
Name 4-n-Butyl-1-methyl-3-(p-tolyl)isoquinoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23N
InChI InChI=1S/C21H23N/c1-4-5-8-20-19-10-7-6-9-18(19)16(3)22-21(20)17-13-11-15(2)12-14-17/h6-7,9-14H,4-5,8H2,1-3H3
InChIKey XLLPGZINTLLOBG-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo301768b
Molecular Weight 289.422 g/mol
SMILES c1cccc2c1c(nc(c2CCCC)-c1ccc(cc1)C)C
SPLASH splash10-01p2-0090000000-272629f7f437dc99db70
Source of Spectrum J-77-9196-3ak
Synonyms 4-Butyl-1-methyl-3-(p-tolyl)isoquinoline 4-Butyl-1-methyl-3-(4-methylphenyl)isoquinoline
Wiley ID 1747131