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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 21TJbsQBiTQ
Name 7-CYANO-trans-2-HEPTENE-4,6-DIYNOIC ACID, METHYL ESTER
Source of Sample M. T. Hearn, J. L. Turner J. Chem. Soc. Perkin Trans. Ii, 1976, 1027
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. 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
Molecular Weight 159.15
Solvent Chloroform-d; Reference=TMS; Temperature=Ambient Spectrometer= Bruker HX-90
Synonyms 2-HEPTENE-4,6-DIYNOIC ACID, 7-CYANO-, METHYL ESTER, trans-,