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IEQQYROHVLHZSU-UHFFFAOYSA-N
SpectraBase Compound ID 1NV2VCcq9Y4
InChI InChI=1S/C8H8N2O7S/c1-17-8-6(9(11)12)3-5(18(2,15)16)4-7(8)10(13)14/h3-4H,1-2H3
InChIKey IEQQYROHVLHZSU-UHFFFAOYSA-N
Mol Weight 276.22 g/mol
Molecular Formula C8H8N2O7S
Exact Mass 276.005222 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 76eqGxG83NQ
Name 2,6-DINITRO-4-(METHYLSULFONYL)ANISOLE
Source of Sample M. P. Simonnin J. Org. Chem. 43, 855(1978)
CAS Registry Number 39880-50-7
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8N8N2O7S
InChI InChI=1S/C8H8N2O7S/c1-17-8-6(9(11)12)3-5(18(2,15)16)4-7(8)10(13)14/h3-4H,1-2H3
InChIKey IEQQYROHVLHZSU-UHFFFAOYSA-N
Molecular Weight 276.23
Solvent Dimethyl sulfoxide-d6; Reference=TMS; Temperature=304 K Spectrometer= Varian XL-100
Synonyms ANISOLE, 2,6-DINITRO-4-/METHYLSULFONYL/-,