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4-[(1S)-7-chloro-2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl]butanenitrile
SpectraBase Compound ID 2w2G5iyTN5s
InChI InChI=1S/C19H19ClN2/c20-16-10-9-15-11-13-22(17-6-2-1-3-7-17)19(18(15)14-16)8-4-5-12-21/h1-3,6-7,9-10,14,19H,4-5,8,11,13H2/t19-/m0/s1
InChIKey NZFCGABSWMJJEK-IBGZPJMESA-N
Mol Weight 310.83 g/mol
Molecular Formula C19H19ClN2
Exact Mass 310.123676 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EosYVBsYDCR
Name 4-[(1S)-7-chloro-2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl]butanenitrile
Appearance Yellow oily liquid
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Formula C19H19ClN2
InChI InChI=1S/C19H19ClN2/c20-16-10-9-15-11-13-22(17-6-2-1-3-7-17)19(18(15)14-16)8-4-5-12-21/h1-3,6-7,9-10,14,19H,4-5,8,11,13H2/t19-/m0/s1
InChIKey NZFCGABSWMJJEK-IBGZPJMESA-N
Instrument Name LRMS
Ionization Type EI
Molecular Weight 310.828 g/mol
SMILES c1c2c(cc(c1)Cl)[C@@](N(CC2)c1ccccc1)(CCCC#N)[H]
SPLASH splash10-0006-0190000000-a31adcd8fec1e468bb91
Source of Spectrum CN114478380A
Wiley ID 1884274