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5-Nitro-3H-1,2-Benzoxathiole 2,2-dioxide
SpectraBase Compound ID FtAfce98hSq
InChI InChI=1S/C7H5NO5S/c9-8(10)6-1-2-7-5(3-6)4-14(11,12)13-7/h1-3H,4H2
InChIKey NKGKZWZGRMZCMO-UHFFFAOYSA-N
Mol Weight 215.18 g/mol
Molecular Formula C7H5NO5S
Exact Mass 214.988843 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID o8fYhKRrdm
Name 2-HYDROXY-5-NITRO-ALPHA-TOLUENE-SULPHONIC-ACID-SULTONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H5NO5S
InChI InChI=1S/C7H5NO5S/c9-8(10)6-1-2-7-5(3-6)4-14(11,12)13-7/h1-3H,4H2
InChIKey NKGKZWZGRMZCMO-UHFFFAOYSA-N
Literature Reference Author S.SAGNER,Z.W.SHEN,B.DEUS-NEUMANN,M.H.ZENK
Literature Reference Citation PHYTOCHEM.,47,375(1998)
Literature Reference DOI 10.1016/S0031-9422(97)00590-6
Molecular Weight 215.180 g/mol
Solvent CD3OD
Source File Reference UWMS129