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4-METHYL-4-NITRO-1-PHENYL-2-THIOXOPENTAN-1-ONE-S-OXIDE
SpectraBase Compound ID 46t8Ent5Sbh
InChI InChI=1S/C12H13NO4S/c1-12(2,13(15)16)8-10(18-17)11(14)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKey CFAYTIHTVHJRLS-UHFFFAOYSA-N
Mol Weight 267.3 g/mol
Molecular Formula C12H13NO4S
Exact Mass 267.056529 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EkcDzBxUIvN
Name 4-METHYL-4-NITRO-1-PHENYL-2-THIOXOPENTAN-1-ONE-S-OXIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H13NO4S
InChI InChI=1S/C12H13NO4S/c1-12(2,13(15)16)8-10(18-17)11(14)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKey CFAYTIHTVHJRLS-UHFFFAOYSA-N
Literature Reference Author D.S.C.BLACK,G.D.FALLON,B.M.GATEHOUSE,J.D.WISHART
Literature Reference Citation AUSTR.J.CHEM.,37,777(1984)
Literature Reference DOI 10.1071/ch9840777
Molecular Weight 267.300 g/mol
Solvent CDCl3
Source File Reference UWWR1040