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4-[(1S)-2-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-1-yl]butanenitrile
SpectraBase Compound ID 2GCJ20JusJW
InChI InChI=1S/C20H22N2O/c1-23-18-11-9-17(10-12-18)22-15-13-16-6-2-3-7-19(16)20(22)8-4-5-14-21/h2-3,6-7,9-12,20H,4-5,8,13,15H2,1H3/t20-/m0/s1
InChIKey CZFWBYIRSZYBTL-FQEVSTJZSA-N
Mol Weight 306.41 g/mol
Molecular Formula C20H22N2O
Exact Mass 306.173213 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Ijkbbi24Su
Name 4-[(1S)-2-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-1-yl]butanenitrile
Appearance Yellow oily liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22N2O
InChI InChI=1S/C20H22N2O/c1-23-18-11-9-17(10-12-18)22-15-13-16-6-2-3-7-19(16)20(22)8-4-5-14-21/h2-3,6-7,9-12,20H,4-5,8,13,15H2,1H3/t20-/m0/s1
InChIKey CZFWBYIRSZYBTL-FQEVSTJZSA-N
Instrument Name LRMS
Ionization Type EI
Molecular Weight 306.409 g/mol
SMILES c1c2c(ccc1)[C@@](N(CC2)c1ccc(cc1)OC)(CCCC#N)[H]
SPLASH splash10-000i-0190000000-76485c60c6559301f2e4
Source of Spectrum CN114478380A
Wiley ID 1884266