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cis, cis-1-Carboxy-3-tert-butyl-4-cyano-1,3-butadiene

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cis, cis-1-Carboxy-3-tert-butyl-4-cyano-1,3-butadiene
SpectraBase Compound ID 5GDYJ0zsQ3h
InChI InChI=1S/C10H13NO2/c1-10(2,3)8(6-7-11)4-5-9(12)13/h4-6H,1-3H3,(H,12,13)/b5-4-,8-6+
InChIKey VSAAELXRYVMBLV-GSGSLZOQSA-N
Mol Weight 179.22 g/mol
Molecular Formula C10H13NO2
Exact Mass 179.094629 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2YGXG1MQOwi
Name cis, cis-1-Carboxy-3-tert-butyl-4-cyano-1,3-butadiene
CAS Registry Number 73824-87-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C10H13NO2
InChI InChI=1S/C10H13NO2/c1-10(2,3)8(6-7-11)4-5-9(12)13/h4-6H,1-3H3,(H,12,13)/b5-4-,8-6+
InChIKey VSAAELXRYVMBLV-GSGSLZOQSA-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