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4-n-Butyl-1-methyl-3-(4-methoxyphenyl)isoquinoline
SpectraBase Compound ID 5dYRgEs74KJ
InChI InChI=1S/C21H23NO/c1-4-5-8-20-19-10-7-6-9-18(19)15(2)22-21(20)16-11-13-17(23-3)14-12-16/h6-7,9-14H,4-5,8H2,1-3H3
InChIKey HKQPKHKAMDWKND-UHFFFAOYSA-N
Mol Weight 305.42 g/mol
Molecular Formula C21H23NO
Exact Mass 305.177964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 11h5awKtyiu
Name 4-n-Butyl-1-methyl-3-(4-methoxyphenyl)isoquinoline
Alternate Name(s) 4-Butyl-3-(4-methoxyphenyl)-1-methylisoquinoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23NO
InChI InChI=1S/C21H23NO/c1-4-5-8-20-19-10-7-6-9-18(19)15(2)22-21(20)16-11-13-17(23-3)14-12-16/h6-7,9-14H,4-5,8H2,1-3H3
InChIKey HKQPKHKAMDWKND-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo301768b
Molecular Weight 305.421 g/mol
SMILES c1c2c(c(c(nc2C)-c2ccc(cc2)OC)CCCC)ccc1
SPLASH splash10-08i0-0093000000-56edf9f526b6be56b2a4
Source of Spectrum J-77-9196-3am
Wiley ID 1747133