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Sulfometuron methyl ester
SpectraBase Compound ID FfxBJiWoHnS
InChI InChI=1S/C15H16N4O5S/c1-9-8-10(2)17-14(16-9)18-15(21)19-25(22,23)12-7-5-4-6-11(12)13(20)24-3/h4-8H,1-3H3,(H2,16,17,18,19,21)
InChIKey ZDXMLEQEMNLCQG-UHFFFAOYSA-N
Mol Weight 364.38 g/mol
Molecular Formula C15H16N4O5S
Exact Mass 364.084141 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JnWcw07dr64
Name Sulfometuron methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 364.084140800 u
Formula C15H16N4O5S
InChI InChI=1S/C15H16N4O5S/c1-9-8-10(2)17-14(16-9)18-15(21)19-25(22,23)12-7-5-4-6-11(12)13(20)24-3/h4-8H,1-3H3,(H2,16,17,18,19,21)
InChIKey ZDXMLEQEMNLCQG-UHFFFAOYSA-N
Molecular Weight 364.376 g/mol
SMILES C1(=CC(=NC(=N1)NC(NS(=O)(=O)C1=C(C=CC=C1)C(=O)OC)=O)C)C