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(3S)-2-(2-chloroethyl)-3-(3,4-dimethoxyphenyl)-7,8-dimethoxy-3,4-dihydro-1H-isoquinoline
SpectraBase Compound ID KOTK55RkDyS
InChI InChI=1S/C21H26ClNO4/c1-24-18-7-6-15(12-20(18)26-3)17-11-14-5-8-19(25-2)21(27-4)16(14)13-23(17)10-9-22/h5-8,12,17H,9-11,13H2,1-4H3/t17-/m0/s1
InChIKey NAEHAQHZMGKTPR-KRWDZBQOSA-N
Mol Weight 391.9 g/mol
Molecular Formula C21H26ClNO4
Exact Mass 391.155036 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID xHggXbusMP
Name (3S)-2-(2-chloroethyl)-3-(3,4-dimethoxyphenyl)-7,8-dimethoxy-3,4-dihydro-1H-isoquinoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26ClNO4
InChI InChI=1S/C21H26ClNO4/c1-24-18-7-6-15(12-20(18)26-3)17-11-14-5-8-19(25-2)21(27-4)16(14)13-23(17)10-9-22/h5-8,12,17H,9-11,13H2,1-4H3/t17-/m0/s1
InChIKey NAEHAQHZMGKTPR-KRWDZBQOSA-N
Molecular Weight 391.895 g/mol
SMILES C1N([C@@](Cc2ccc(c(c12)OC)OC)(c1cc(c(cc1)OC)OC)[H])CCCl
SPLASH splash10-03dl-0409000000-347285a6d399ed48aaca
Source of Spectrum F-70-9493-26
Wiley ID 1597845