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2-(3,3-Dimethyl-3,4-dihydro-isoquinolin-1-ylmethylsulfanyl)-4,6-dimethyl-nicotinonitrile

View entire compound with spectra: 1 MS (GC)

2-(3,3-Dimethyl-3,4-dihydro-isoquinolin-1-ylmethylsulfanyl)-4,6-dimethyl-nicotinonitrile
SpectraBase Compound ID 8VrNKSEWthS
InChI InChI=1S/C20H21N3S/c1-13-9-14(2)22-19(17(13)11-21)24-12-18-16-8-6-5-7-15(16)10-20(3,4)23-18/h5-9H,10,12H2,1-4H3
InChIKey RPKRJICGPPQGOB-UHFFFAOYSA-N
Mol Weight 335.47 g/mol
Molecular Formula C20H21N3S
Exact Mass 335.145619 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 73oxALuKw0a
Name 2-(3,3-Dimethyl-3,4-dihydro-isoquinolin-1-ylmethylsulfanyl)-4,6-dimethyl-nicotinonitrile
Alternate Name(s) 2-{[(3,3-dimethyl-3,4-dihydro-1-isoquinolinyl)methyl]sulfanyl}-4,6-dimethylnicotinonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21N3S
InChI InChI=1S/C20H21N3S/c1-13-9-14(2)22-19(17(13)11-21)24-12-18-16-8-6-5-7-15(16)10-20(3,4)23-18/h5-9H,10,12H2,1-4H3
InChIKey RPKRJICGPPQGOB-UHFFFAOYSA-N
Molecular Weight 335.469 g/mol
SMILES c1cc2C(=NC(Cc2cc1)(C)C)CSc1c(c(C)cc(n1)C)C#N
SPLASH splash10-00yr-3914000000-50f7e6d488d1aab46b96
Wiley ID 1511275