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

View entire compound with spectra: 1 MS (GC)

(1S*,4R*)-4-Benzyl-4-cyano-1-methyl-1,2,3,4-tetrahydroisoquinolin-3(2H)-one
SpectraBase Compound ID 4sRnI5ptQSh
InChI InChI=1S/C18H16N2O/c1-13-15-9-5-6-10-16(15)18(12-19,17(21)20-13)11-14-7-3-2-4-8-14/h2-10,13H,11H2,1H3,(H,20,21)/t13-,18+/m0/s1
InChIKey YSVLZRZDDOAHQO-SCLBCKFNSA-N
Mol Weight 276.34 g/mol
Molecular Formula C18H16N2O
Exact Mass 276.126263 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9WKNYI9g
Name (1S*,4R*)-4-Benzyl-4-cyano-1-methyl-1,2,3,4-tetrahydroisoquinolin-3(2H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16N2O
InChI InChI=1S/C18H16N2O/c1-13-15-9-5-6-10-16(15)18(12-19,17(21)20-13)11-14-7-3-2-4-8-14/h2-10,13H,11H2,1H3,(H,20,21)/t13-,18+/m0/s1
InChIKey YSVLZRZDDOAHQO-SCLBCKFNSA-N
Molecular Weight 276.339 g/mol
SMILES N1[C@](c2c([C@](C1=O)(C#N)Cc1ccccc1)cccc2)(C)[H]
SPLASH splash10-00pl-9560000000-29fe93d44d37f9cdb661
Source of Spectrum F-50-13282-11
Synonyms (1S,4R)-4-benzyl-1-methyl-3-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarbonitrile (1S,4S)-4-Benzyl-1-methyl-3-oxo-1,2,3,4-tetrahydro-isoquinoline-4-carbonitrile
Wiley ID 790059