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2-(4-Methylbenzoylamino)-4,5-dimethyl-3-hydroperoxy-2,3-dihydroisothiazolie 1,1-dioxide
SpectraBase Compound ID Cq2PpWzkOMu
InChI InChI=1S/C13H16N2O5S/c1-8-4-6-11(7-5-8)12(16)14-15-13(20-17)9(2)10(3)21(15,18)19/h4-7,13,17H,1-3H3,(H,14,16)
InChIKey SMFQCLNPKNFTNH-UHFFFAOYSA-N
Mol Weight 312.34 g/mol
Molecular Formula C13H16N2O5S
Exact Mass 312.077993 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B6JooQxhKR4
Name 2-(4-Methylbenzoylamino)-4,5-dimethyl-3-hydroperoxy-2,3-dihydroisothiazolie 1,1-dioxide
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Formula C13H16N2O5S
InChI InChI=1S/C13H16N2O5S/c1-8-4-6-11(7-5-8)12(16)14-15-13(20-17)9(2)10(3)21(15,18)19/h4-7,13,17H,1-3H3,(H,14,16)
InChIKey SMFQCLNPKNFTNH-UHFFFAOYSA-N
Molecular Weight 312.340 g/mol
SMILES OOC1C(=C(S(N1NC(c1ccc(cc1)C)=O)(=O)=O)C)C
SPLASH splash10-02t9-1920000000-000247e37a98a61f3b6d
Source of Spectrum O1-65-2714-7
Wiley ID 1593326