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O-{3-[(p-chlorophenyl)sulfonyl]butyryl}-5-nitro-2-furamidoxime
SpectraBase Compound ID dTqT68zadC
InChI InChI=1S/C15H14ClN3O7S/c1-9(27(23,24)11-4-2-10(16)3-5-11)8-14(20)26-18-15(17)12-6-7-13(25-12)19(21)22/h2-7,9H,8H2,1H3,(H2,17,18)
InChIKey AYQMAPSJLXXHSQ-UHFFFAOYSA-N
Mol Weight 415.8 g/mol
Molecular Formula C15H14ClN3O7S
Exact Mass 415.024099 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EBQdRZvw5yF
Name o-{3-[(p-Chlorophenyl)sulfonyl]butyryl}-5-nitro-2-furamidoxime
Comments Computed using HOSE algorithm
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Exact Mass 415.024098670 u
Formula C15H14ClN3O7S
InChI InChI=1S/C15H14ClN3O7S/c1-9(27(23,24)11-4-2-10(16)3-5-11)8-14(20)26-18-15(17)12-6-7-13(25-12)19(21)22/h2-7,9H,8H2,1H3,(H2,17,18)
InChIKey AYQMAPSJLXXHSQ-UHFFFAOYSA-N
Molecular Weight 415.804 g/mol
SMILES N(=O)(=O)C1=CC=C(\C(=N\OC(CC(S(C=2C=CC(=CC2)Cl)(=O)=O)C)=O)N)O1