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3-Nitro-4-chloro-5-methoxy-benzoic acid
SpectraBase Compound ID GkpyFhpm2Vb
InChI InChI=1S/C8H6ClNO5/c1-15-6-3-4(8(11)12)2-5(7(6)9)10(13)14/h2-3H,1H3,(H,11,12)
InChIKey BCHVQOFFAGCCCR-UHFFFAOYSA-N
Mol Weight 231.59 g/mol
Molecular Formula C8H6ClNO5
Exact Mass 230.99345 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LWSd5JUUdZq
Name 3-Nitro-4-chloro-5-methoxy-benzoic acid
CAS Registry Number 71001-78-0
Comments SIGNAL AT 206.25 PPM ELIMINATED (SOLVENT ?)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H6ClNO5
InChI InChI=1S/C8H6ClNO5/c1-15-6-3-4(8(11)12)2-5(7(6)9)10(13)14/h2-3H,1H3,(H,11,12)
InChIKey BCHVQOFFAGCCCR-UHFFFAOYSA-N
Literature Reference A.I. Meyers, K.A. Babiak, A.L. Campbell, J. Am. Chem. Soc. 105, 5015 (1983).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Acetone-D6