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cis, cis-Muconic acid, mononitrile
SpectraBase Compound ID DC8WCFyICde
InChI InChI=1S/C6H5NO2/c7-5-3-1-2-4-6(8)9/h1-4H,(H,8,9)/b3-1-,4-2-
InChIKey IZRBYWRHSHSUCQ-CCAGOZQPSA-N
Mol Weight 123.11 g/mol
Molecular Formula C6H5NO2
Exact Mass 123.032028 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fl7Gl73U75L
Name cis, cis-Muconic acid, mononitrile
CAS Registry Number 73824-86-9
Comments reassigned
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C6H5NO2
InChI InChI=1S/C6H5NO2/c7-5-3-1-2-4-6(8)9/h1-4H,(H,8,9)/b3-1-,4-2-
InChIKey IZRBYWRHSHSUCQ-CCAGOZQPSA-N
Instrument Name Varian CFT-20
Literature Reference T.R. Demmin, M.D. Swerdloff, M.M.Rogic, J. Am. Chem. Soc. 103, 5795 (1981).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3