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3-NITRO-p-TOLUENESULFONIC ACID

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3-NITRO-p-TOLUENESULFONIC ACID
SpectraBase Compound ID 6R1nhoqvCAt
InChI InChI=1S/C7H7NO5S/c1-5-2-3-6(14(11,12)13)4-7(5)8(9)10/h2-4H,1H3,(H,11,12,13)
InChIKey GJYYWZTYFNSZRP-UHFFFAOYSA-N
Mol Weight 217.19 g/mol
Molecular Formula C7H7NO5S
Exact Mass 217.004493 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L2ShAkWBvqq
Name 3-NITRO-p-TOLUENESULFONIC ACID
Source of Sample A. Hardt, W. Bremser BASF Ludwigshafen (1983)
CAS Registry Number 97-06-3
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H7NO5S
InChI InChI=1S/C7H7NO5S/c1-5-2-3-6(14(11,12)13)4-7(5)8(9)10/h2-4H,1H3,(H,11,12,13)
InChIKey GJYYWZTYFNSZRP-UHFFFAOYSA-N
Molecular Weight 217.20
Solvent Dimethyl sulfoxide-d6; Reference=TMS; Temperature=Ambient Spectrometer= Bruker WM-360
Synonyms P-TOLUENESULFONIC ACID, 3-NITRO-,