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3-Chloro-N-(2-methyl-4-nitrophenyl)-2-thianaphthenecarboxamide

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3-Chloro-N-(2-methyl-4-nitrophenyl)-2-thianaphthenecarboxamide
SpectraBase Compound ID 9MmyyNIX7xu
InChI InChI=1S/C16H11ClN2O3S/c1-9-8-10(19(21)22)6-7-12(9)18-16(20)15-14(17)11-4-2-3-5-13(11)23-15/h2-8H,1H3,(H,18,20)
InChIKey PTWAVKNFTAJVKE-UHFFFAOYSA-N
Mol Weight 346.79 g/mol
Molecular Formula C16H11ClN2O3S
Exact Mass 346.017891 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Zq8Q8c8OKC
Name Benzo[B]thiophene-2-carboxamide, 3-chloro-N-(2-methyl-4-nitrophenyl)-
Comments Computed using HOSE algorithm
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Exact Mass 346.017891093 u
Formula C16H11ClN2O3S
InChI InChI=1S/C16H11ClN2O3S/c1-9-8-10(19(21)22)6-7-12(9)18-16(20)15-14(17)11-4-2-3-5-13(11)23-15/h2-8H,1H3,(H,18,20)
InChIKey PTWAVKNFTAJVKE-UHFFFAOYSA-N
Molecular Weight 346.788 g/mol
SMILES C12=C(C=CC=C2)SC(=C1Cl)C(NC1=C(C=C(C=C1)N(=O)=O)C)=O