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7-CYANO-trans-2-HEPTENE-4,6-DIYNOIC ACID, METHYL ESTER
SpectraBase Compound ID AEoHA18C1sl
InChI InChI=1S/C9H5NO2/c1-12-9(11)7-5-3-2-4-6-8-10/h5,7H,1H3/b7-5+
InChIKey GGFQWVHFZCYUGM-FNORWQNLSA-N
Mol Weight 159.14 g/mol
Molecular Formula C9H5NO2
Exact Mass 159.032028 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bee1GoYvJwr
Name 7-Cyano-trans-hept-2-en-4,6-diyn-oic acid, methyl ester
CAS Registry Number 54981-66-7
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H5NO2
InChI InChI=1S/C9H5NO2/c1-12-9(11)7-5-3-2-4-6-8-10/h5,7H,1H3/b7-5+
InChIKey GGFQWVHFZCYUGM-FNORWQNLSA-N
Instrument Name Bruker HX-90
Literature Reference M.T. Hearn, J.L. Turner, J. Chem. Soc. Perkin II 1027 (1976).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3