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2-chloro-4-nitrocarbanilic acid, (1,4-benzodioxan-2-yl)methyl ester
SpectraBase Compound ID CUJsLzA2WKz
InChI InChI=1S/C16H13ClN2O6/c17-12-7-10(19(21)22)5-6-13(12)18-16(20)24-9-11-8-23-14-3-1-2-4-15(14)25-11/h1-7,11H,8-9H2,(H,18,20)
InChIKey MIMFVCUODOCRGA-UHFFFAOYSA-N
Mol Weight 364.74 g/mol
Molecular Formula C16H13ClN2O6
Exact Mass 364.046214 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 91ZlD51jjtA
Name 2-CHLORO-4-NITROCARBANILIC ACID, (1,4-BENZODIOXAN-2-YL)METHYL ESTER
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13ClN2O6
InChI InChI=1S/C16H13ClN2O6/c17-12-7-10(19(21)22)5-6-13(12)18-16(20)24-9-11-8-23-14-3-1-2-4-15(14)25-11/h1-7,11H,8-9H2,(H,18,20)
InChIKey MIMFVCUODOCRGA-UHFFFAOYSA-N
Molecular Weight 364.74
Solvent Dimethyl sulfoxide-d6; Reference=TMS Spectrometer= Bruker AC-300
Synonyms CARBANILIC ACID, 2-CHLORO-4-NITRO-, /1,4-BENZODIOXAN-2-YL/METHYL ESTER 1,4-BENZODIOXAN-2-METHANOL, 2-CHLORO-4-NITROCARBANILATE