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dimethyl 4,7-dihydro-8-methylbenzo[b]thiophen-4,7-imine-5,6-dicarboxylate
SpectraBase Compound ID 4HERlPOMflq
InChI InChI=1S/C13H13NO4S/c1-14-9-6-4-5-19-11(6)10(14)8(13(16)18-3)7(9)12(15)17-2/h4-5,9-10H,1-3H3/t9-,10-/m0/s1
InChIKey JSKBXFXADLQTAR-UHFFFAOYSA-N
Mol Weight 279.31 g/mol
Molecular Formula C13H13NO4S
Exact Mass 279.056529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CNFCw8iP7pj
Name dimethyl 4,7-dihydro-8-methylbenzo[b]thiophen-4,7-imine-5,6-dicarboxylate
CAS Registry Number 125302-68-3
Comments Less than 3 mono-isotopic peaks
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Formula C13H13NO4S
InChI InChI=1S/C13H13NO4S/c1-14-9-6-4-5-19-11(6)10(14)8(13(16)18-3)7(9)12(15)17-2/h4-5,9-10H,1-3H3/t9-,10-/m0/s1
InChIKey JSKBXFXADLQTAR-UHFFFAOYSA-N
Molecular Weight 279.310 g/mol
SMILES C1(=C([C@@]2(N([C@]1(c1c2scc1)[H])C)[H])C(=O)OC)C(=O)OC
SPLASH splash10-000i-0940000000-47495552b508e56b82a4
Source of Spectrum J-55-2449-16
Synonyms dimethyl 10-methyl-3-thia-10-azatricyclo[5.2.1.0(2,6)]deca-2(6),4,8-triene-8,9-dicarboxylate
Wiley ID 1282788