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1-n-Butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-hydroxyisoquinolinium -Trifluoroacetate
SpectraBase Compound ID GIAIeJctj0L
InChI InChI=1S/C23H27NO3/c1-4-5-10-20-19-9-7-6-8-18(19)16-23(25)24(20)14-13-17-11-12-21(26-2)22(15-17)27-3/h6-9,11-12,15-16H,4-5,10,13-14H2,1-3H3/p+1
InChIKey MWEQHECDJFRZJM-UHFFFAOYSA-O
Mol Weight 366.48 g/mol
Molecular Formula C23H28NO3
Exact Mass 366.206919 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kk66gr9FT42
Name 1-n-Butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-hydroxyisoquinolinium -Trifluoroacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H28NO3
InChI InChI=1S/C23H27NO3/c1-4-5-10-20-19-9-7-6-8-18(19)16-23(25)24(20)14-13-17-11-12-21(26-2)22(15-17)27-3/h6-9,11-12,15-16H,4-5,10,13-14H2,1-3H3/p+1
InChIKey MWEQHECDJFRZJM-UHFFFAOYSA-O
Molecular Weight 366.481 g/mol
SMILES Oc1[n+](c(c2c(cccc2)c1)CCCC)CCc1cc(OC)c(cc1)OC
SPLASH splash10-0a4i-9700000000-59c3e7abb89cfa11f9b4
Source of Spectrum J-62-2090-11
Synonyms 1-Butyl-2-[2-(3,4-dimethoxy-phenyl)-ethyl]-3-hydroxy-isoquinolinium
Wiley ID 1351516