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4-(4-Chloro-n-butyl)-1-methyl-3-phenylisoquinoline

View entire compound with spectra: 1 MS (GC)

4-(4-Chloro-n-butyl)-1-methyl-3-phenylisoquinoline
SpectraBase Compound ID 3bD1EeyzWX8
InChI InChI=1S/C20H20ClN/c1-15-17-11-5-6-12-18(17)19(13-7-8-14-21)20(22-15)16-9-3-2-4-10-16/h2-6,9-12H,7-8,13-14H2,1H3
InChIKey OBWGEROCIMWOAH-UHFFFAOYSA-N
Mol Weight 309.84 g/mol
Molecular Formula C20H20ClN
Exact Mass 309.128427 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A7iANRhaxRa
Name 4-(4-Chloro-n-butyl)-1-methyl-3-phenylisoquinoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20ClN
InChI InChI=1S/C20H20ClN/c1-15-17-11-5-6-12-18(17)19(13-7-8-14-21)20(22-15)16-9-3-2-4-10-16/h2-6,9-12H,7-8,13-14H2,1H3
InChIKey OBWGEROCIMWOAH-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo301768b
Molecular Weight 309.840 g/mol
SMILES c1cccc2c1c(nc(c2CCCCCl)-c1ccccc1)C
SPLASH splash10-001j-0092000000-d10cf4c00f2f1fd29412
Source of Spectrum J-77-9197-3aq
Synonyms 4-(4-Chlorobutyl)-1-methyl-3-phenylisoquinoline 4-(4-Chloranylbutyl)-1-methyl-3-phenyl-isoquinoline
Wiley ID 1747137