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3,4-Di-n-butyl-1-methylisoquinoline
SpectraBase Compound ID 8eiJkPJtR7l
InChI InChI=1S/C18H25N/c1-4-6-10-17-16-12-9-8-11-15(16)14(3)19-18(17)13-7-5-2/h8-9,11-12H,4-7,10,13H2,1-3H3
InChIKey JKBKXXIWPUMWAA-UHFFFAOYSA-N
Mol Weight 255.4 g/mol
Molecular Formula C18H25N
Exact Mass 255.1987 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IwzCWH4rvcw
Name 3,4-Di-n-butyl-1-methylisoquinoline
Alternate Name(s) 3,4-Dibutyl-1-methylisoquinoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H25N
InChI InChI=1S/C18H25N/c1-4-6-10-17-16-12-9-8-11-15(16)14(3)19-18(17)13-7-5-2/h8-9,11-12H,4-7,10,13H2,1-3H3
InChIKey JKBKXXIWPUMWAA-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo301768b
Molecular Weight 255.405 g/mol
SMILES c1(C)nc(c(CCCC)c2c1cccc2)CCCC
SPLASH splash10-00di-0940000000-8ae9a4b2f9cf8b58d1ec
Source of Spectrum J-77-9195-3af
Wiley ID 1747125