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1H-2-benzothiopyran-5,7,7(3H)-tricarbonitrile, 6-amino-8,8a-dihydro-8-[4-(1-methylethyl)phenyl]-
SpectraBase Compound ID B0thAwOA1gj
InChI InChI=1S/C21H20N4S/c1-13(2)14-3-5-15(6-4-14)19-18-10-26-8-7-16(18)17(9-22)20(25)21(19,11-23)12-24/h3-7,13,18-19H,8,10,25H2,1-2H3
InChIKey DOQZLYHJAPRIQA-UHFFFAOYSA-N
Mol Weight 360.48 g/mol
Molecular Formula C21H20N4S
Exact Mass 360.140868 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1DQij4J9w7G
Name 6-Amino-8-(4-isopropylphenyl)-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile
Alternate Name(s) 6-Amino-8-(4-propan-2-ylphenyl)-1,3,8,8a-tetrahydro-2-benzothiopyran-5,7,7-tricarbonitrile 6-Amino-8-(4-propan-2-ylphenyl)-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile 6-Amino-8-p-cumenyl-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile 6-Azanyl-8-(4-propan-2-ylphenyl)-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile
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Formula C21H20N4S
InChI InChI=1S/C21H20N4S/c1-13(2)14-3-5-15(6-4-14)19-18-10-26-8-7-16(18)17(9-22)20(25)21(19,11-23)12-24/h3-7,13,18-19H,8,10,25H2,1-2H3
InChIKey DOQZLYHJAPRIQA-UHFFFAOYSA-N
Molecular Weight 360.479 g/mol
SMILES NC1=C(C#N)C=2C(C(C1(C#N)C#N)c1ccc(cc1)C(C)C)CSCC2
SPLASH splash10-03yl-3932000000-5035b680b019b3136883
Wiley ID 1452921