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2-[Chloro(4-tolylsulfonyl)methyl]-5-nitrobenzoxazole
SpectraBase Compound ID BvWQX9ojSDy
InChI InChI=1S/C15H11ClN2O5S/c1-9-2-5-11(6-3-9)24(21,22)14(16)15-17-12-8-10(18(19)20)4-7-13(12)23-15/h2-8,14H,1H3
InChIKey WROCLHMUWIXAJW-UHFFFAOYSA-N
Mol Weight 366.78 g/mol
Molecular Formula C15H11ClN2O5S
Exact Mass 366.00772 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Azm6s7l4KcC
Name 2-[Chloro(4-tolylsulfonyl)methyl]-5-nitrobenzoxazole
Alternate Name(s) 2-{chloro[(4-methylphenyl)sulfonyl]methyl}-5-nitro-1,3-benzoxazole Chloro(5-nitro-1,3-benzoxazol-2-yl)methyl 4-methylphenyl sulfone
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Formula C15H11ClN2O5S
InChI InChI=1S/C15H11ClN2O5S/c1-9-2-5-11(6-3-9)24(21,22)14(16)15-17-12-8-10(18(19)20)4-7-13(12)23-15/h2-8,14H,1H3
InChIKey WROCLHMUWIXAJW-UHFFFAOYSA-N
Molecular Weight 366.775 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)(c1nc2cc(N(=O)=O)ccc2o1)Cl
SPLASH splash10-0a4l-4941000000-a488113ba5f3c76637c6
Source of Spectrum F-51-7284-7
Wiley ID 792316