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trans-3,7-Dimethyl-1,2,3,4,4a,7,8,8a-octahydro-6-methylsulfanylisoquinoline
SpectraBase Compound ID 1lTM32NFtVw
InChI InChI=1S/C12H21NS/c1-9-6-10-4-5-13(2)8-11(10)7-12(9)14-3/h7,9-11H,4-6,8H2,1-3H3/t9-,10-,11+/m1/s1
InChIKey SCZBPCZSVLPFDY-MXWKQRLJSA-N
Mol Weight 211.37 g/mol
Molecular Formula C12H21NS
Exact Mass 211.139471 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HUDnndRCjqs
Name trans-3,7-Dimethyl-1,2,3,4,4a,7,8,8a-octahydro-6-methylsulfanylisoquinoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H21NS
InChI InChI=1S/C12H21NS/c1-9-6-10-4-5-13(2)8-11(10)7-12(9)14-3/h7,9-11H,4-6,8H2,1-3H3/t9-,10-,11+/m1/s1
InChIKey SCZBPCZSVLPFDY-MXWKQRLJSA-N
Molecular Weight 211.367 g/mol
SMILES C1=C([C@@](C[C@@]2([C@@]1(CN(CC2)C)[H])[H])(C)[H])SC
SPLASH splash10-03di-1910000000-1c9b86a7edcd78cb0e43
Source of Spectrum F-54-9554-43
Synonyms (4aS,6R,8aS)-2,6-Dimethyl-7-methylsulfanyl-1,2,3,4,4a,5,6,8a-octahydro-isoquinoline trans-2,6-Dimethyl-1,2,3,4,4a,7,8,8a-octahydro-7-methylsulfanylisoquinoline (4aS,6R,8aS)-2,6-dimethyl-7-methylsulfanyl-3,4,4a,5,6,8a-hexahydro-1H-isoquinoline
Wiley ID 808252