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(1S*,4R*)-4-Benzyl-4-cyano-1-ethyl-1,2,3,4-tetrahydroisoquinolin-3(2H)-one

View entire compound with spectra: 1 MS (GC)

(1S*,4R*)-4-Benzyl-4-cyano-1-ethyl-1,2,3,4-tetrahydroisoquinolin-3(2H)-one
SpectraBase Compound ID eL1XOAR7O
InChI InChI=1S/C19H18N2O/c1-2-17-15-10-6-7-11-16(15)19(13-20,18(22)21-17)12-14-8-4-3-5-9-14/h3-11,17H,2,12H2,1H3,(H,21,22)/t17-,19-/m0/s1
InChIKey YJCCDMWCQKKIBE-HKUYNNGSSA-N
Mol Weight 290.37 g/mol
Molecular Formula C19H18N2O
Exact Mass 290.141913 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3mnOfwFth9S
Name (1S*,4R*)-4-Benzyl-4-cyano-1-ethyl-1,2,3,4-tetrahydroisoquinolin-3(2H)-one
Alternate Name(s) (1S,4R)-4-benzyl-1-ethyl-3-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarbonitrile (1S,4S)-4-Benzyl-1-ethyl-3-oxo-1,2,3,4-tetrahydro-isoquinoline-4-carbonitrile
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Formula C19H18N2O
InChI InChI=1S/C19H18N2O/c1-2-17-15-10-6-7-11-16(15)19(13-20,18(22)21-17)12-14-8-4-3-5-9-14/h3-11,17H,2,12H2,1H3,(H,21,22)/t17-,19-/m0/s1
InChIKey YJCCDMWCQKKIBE-HKUYNNGSSA-N
Molecular Weight 290.366 g/mol
SMILES N1[C@](c2c([C@@](C1=O)(C#N)Cc1ccccc1)cccc2)(CC)[H]
SPLASH splash10-0296-8490000000-873e27399ebc0226dfaf
Source of Spectrum F-50-13283-11
Wiley ID 790057