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4-[(1S)-2-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-1-yl]butanenitrile
SpectraBase Compound ID FeReSDTmmdS
InChI InChI=1S/C20H19F3N2/c21-20(22,23)16-8-10-17(11-9-16)25-14-12-15-5-1-2-6-18(15)19(25)7-3-4-13-24/h1-2,5-6,8-11,19H,3-4,7,12,14H2/t19-/m0/s1
InChIKey GXNIFCGRCUNFRD-IBGZPJMESA-N
Mol Weight 344.38 g/mol
Molecular Formula C20H19F3N2
Exact Mass 344.150033 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KwqhugxXp9B
Name 4-[(1S)-2-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-1-yl]butanenitrile
Appearance Yellow oily liquid
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Formula C20H19F3N2
InChI InChI=1S/C20H19F3N2/c21-20(22,23)16-8-10-17(11-9-16)25-14-12-15-5-1-2-6-18(15)19(25)7-3-4-13-24/h1-2,5-6,8-11,19H,3-4,7,12,14H2/t19-/m0/s1
InChIKey GXNIFCGRCUNFRD-IBGZPJMESA-N
Instrument Name LRMS
Ionization Type EI
Molecular Weight 344.381 g/mol
SMILES c1c2c(ccc1)[C@@](N(CC2)c1ccc(cc1)C(F)(F)F)(CCCC#N)[H]
SPLASH splash10-004i-0190000000-20cdb9e8444625391edd
Source of Spectrum CN114478380A
Wiley ID 1884269