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3-n-Hexyl-1-methyl-4-phenylisoquinoline

View entire compound with spectra: 1 MS (GC)

3-n-Hexyl-1-methyl-4-phenylisoquinoline
SpectraBase Compound ID 7Z2bPHNGpVl
InChI InChI=1S/C22H25N/c1-3-4-5-9-16-21-22(18-12-7-6-8-13-18)20-15-11-10-14-19(20)17(2)23-21/h6-8,10-15H,3-5,9,16H2,1-2H3
InChIKey OMFKDUBZULKGDV-UHFFFAOYSA-N
Mol Weight 303.45 g/mol
Molecular Formula C22H25N
Exact Mass 303.1987 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AWHBESyEaPz
Name 3-n-Hexyl-1-methyl-4-phenylisoquinoline
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25N
InChI InChI=1S/C22H25N/c1-3-4-5-9-16-21-22(18-12-7-6-8-13-18)20-15-11-10-14-19(20)17(2)23-21/h6-8,10-15H,3-5,9,16H2,1-2H3
InChIKey OMFKDUBZULKGDV-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo301768b
Molecular Weight 303.449 g/mol
SMILES c1(nc(c(-c2ccccc2)c2c1cccc2)CCCCCC)C
SPLASH splash10-001i-0090000000-51153a3d31c87206eea7
Source of Spectrum J-77-9196-3ai'
Synonyms 3-Hexyl-1-methyl-4-phenylisoquinoline
Wiley ID 1747128