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4,6-bis(Chloranyl)-7-methyl-1-pent-4-enyl-1,3-dihydrothieno[3,4-C]pyridine 2,2-dioxide
SpectraBase Compound ID 3EQs0L8L7o6
InChI InChI=1S/C13H15Cl2NO2S/c1-3-4-5-6-10-11-8(2)12(14)16-13(15)9(11)7-19(10,17)18/h3,10H,1,4-7H2,2H3
InChIKey OQLRUPVPTGSYKJ-UHFFFAOYSA-N
Mol Weight 320.23 g/mol
Molecular Formula C13H15Cl2NO2S
Exact Mass 319.020055 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7ydUmAQSjom
Name 4,6-bis(Chloranyl)-7-methyl-1-pent-4-enyl-1,3-dihydrothieno[3,4-C]pyridine 2,2-dioxide
Comments Computed using HOSE algorithm
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Exact Mass 319.020055299 u
Formula C13H15Cl2NO2S
InChI InChI=1S/C13H15Cl2NO2S/c1-3-4-5-6-10-11-8(2)12(14)16-13(15)9(11)7-19(10,17)18/h3,10H,1,4-7H2,2H3
InChIKey OQLRUPVPTGSYKJ-UHFFFAOYSA-N
Molecular Weight 320.234 g/mol
SMILES C=1(C2=C(C(=C(N1)Cl)C)C(S(C2)(=O)=O)CCCC=C)Cl