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(1R*,4R*)-4-Cyano-1,2,4-trimethyl-1,2,3,4-dihydroisoquinolin-3-one
SpectraBase Compound ID H9jd4Ou92gG
InChI InChI=1S/C13H14N2O/c1-9-10-6-4-5-7-11(10)13(2,8-14)12(16)15(9)3/h4-7,9H,1-3H3/t9-,13+/m1/s1
InChIKey SRVHGDOSDCZDKY-RNCFNFMXSA-N
Mol Weight 214.27 g/mol
Molecular Formula C13H14N2O
Exact Mass 214.110613 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LSd9pQlgw9w
Name (1R*,4R*)-4-Cyano-1,2,4-trimethyl-1,2,3,4-dihydroisoquinolin-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14N2O
InChI InChI=1S/C13H14N2O/c1-9-10-6-4-5-7-11(10)13(2,8-14)12(16)15(9)3/h4-7,9H,1-3H3/t9-,13+/m1/s1
InChIKey SRVHGDOSDCZDKY-RNCFNFMXSA-N
Molecular Weight 214.268 g/mol
SMILES [C@@]1(C(N(C)[C@@](c2c1cccc2)(C)[H])=O)(C#N)C
SPLASH splash10-053s-0900000000-137317e8d499d324a73b
Source of Spectrum F-49-2352-7
Synonyms (1R,4R)-1,2,4-trimethyl-3-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarbonitrile
Wiley ID 1213816