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2-Phenyl-3-methyl-7-nitro-1,4-benzoxathiine-4,4-dioxide
SpectraBase Compound ID 1Sb1k9DVvd5
InChI InChI=1S/C15H11NO5S/c1-10-15(11-5-3-2-4-6-11)21-13-9-12(16(17)18)7-8-14(13)22(10,19)20/h2-9H,1H3
InChIKey HVGJZUSUSSGFKB-UHFFFAOYSA-N
Mol Weight 317.32 g/mol
Molecular Formula C15H11NO5S
Exact Mass 317.035794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GUmMzJNDqV7
Name 2-Phenyl-3-methyl-7-nitro-1,4-benzoxathiine-4,4-dioxide
Alternate Name(s) 3-Methyl-7-nitro-2-phenyl-1,4-benzoxathiin 4,4-dioxide 3-Methyl-7-nitro-2-phenyl-1,4-benzoxathiine 4,4-dioxide 3-Methyl-7-nitro-2-phenyl-1,4$l^{6}-benzoxathiine 4,4-dioxide
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Formula C15H11NO5S
InChI InChI=1S/C15H11NO5S/c1-10-15(11-5-3-2-4-6-11)21-13-9-12(16(17)18)7-8-14(13)22(10,19)20/h2-9H,1H3
InChIKey HVGJZUSUSSGFKB-UHFFFAOYSA-N
Molecular Weight 317.315 g/mol
SMILES C=1(S(c2c(OC1c1ccccc1)cc(cc2)N(=O)=O)(=O)=O)C
SPLASH splash10-014i-1933000000-80c8ee1837a57ccbe71a
Source of Spectrum SK-26-3984-3
Wiley ID 867448