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1-[(4-Methylbenzene)sulfonyl]-3-[2-nitroethenyl]indole

View entire compound with spectra: 1 NMR

1-[(4-Methylbenzene)sulfonyl]-3-[2-nitroethenyl]indole
SpectraBase Compound ID FzokZ146Ovi
InChI InChI=1S/C17H14N2O4S/c1-13-6-8-15(9-7-13)24(22,23)18-12-14(10-11-19(20)21)16-4-2-3-5-17(16)18/h2-12H,1H3/b11-10+
InChIKey AKMLKWKFZXBRNB-ZHACJKMWSA-N
Mol Weight 342.37 g/mol
Molecular Formula C17H14N2O4S
Exact Mass 342.067428 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EVZuBU7JVRT
Name 1-[(4-Methylbenzene)sulfonyl]-3-[2-nitroethenyl]indole
Comments Computed using HOSE algorithm
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Exact Mass 342.067428109 u
Formula C17H14N2O4S
InChI InChI=1S/C17H14N2O4S/c1-13-6-8-15(9-7-13)24(22,23)18-12-14(10-11-19(20)21)16-4-2-3-5-17(16)18/h2-12H,1H3/b11-10+
InChIKey AKMLKWKFZXBRNB-ZHACJKMWSA-N
Molecular Weight 342.369 g/mol
SMILES C1=CC=C2C(=C1)N(C=C2\C=C\N(=O)=O)S(=O)(=O)C1=CC=C(C)C=C1