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N-(4-methylphenyl)-2,3-tetramethylene-5-(3-
SpectraBase Compound ID G2O7PtnoiAU
InChI InChI=1S/C23H21N3O3S/c1-15-9-11-17(12-10-15)25-22(27)21-19-7-2-3-8-20(19)30-23(21)24-14-16-5-4-6-18(13-16)26(28)29/h4-6,9-14H,2-3,7-8H2,1H3,(H,25,27)/b24-14+
InChIKey XONAEPVMTVFAOA-ZVHZXABRSA-N
Mol Weight 419.5 g/mol
Molecular Formula C23H21N3O3S
Exact Mass 419.130363 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2OZ6ZQz2ymi
Name N-(4-methylphenyl)-2,3-tetramethylene-5-(3-
Alternate Name(s) 1-Benzothiophene-3-carboxamide N-(4-methylphenyl)-2-{[(3-nitrophenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide N-(4-methylphenyl)-2-{[(E)-(3-nitrophenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
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Formula C23H21N3O3S
InChI InChI=1S/C23H21N3O3S/c1-15-9-11-17(12-10-15)25-22(27)21-19-7-2-3-8-20(19)30-23(21)24-14-16-5-4-6-18(13-16)26(28)29/h4-6,9-14H,2-3,7-8H2,1H3,(H,25,27)/b24-14+
InChIKey XONAEPVMTVFAOA-ZVHZXABRSA-N
Molecular Weight 419.499 g/mol
SMILES N(C(c1c2CCCCc2sc1\N=C\c1cc(ccc1)N(=O)=O)=O)c1ccc(cc1)C
SPLASH splash10-004i-9521000000-6bc0fd6bd0b4a432379e
Wiley ID 1466864