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5-NITRO-2,4-HEXADIENOIC-ACID-METHYLESTER
SpectraBase Compound ID LQwwtbVutZ7
InChI InChI=1S/C7H9NO4/c1-6(8(10)11)4-3-5-7(9)12-2/h3-5H,1-2H3/b5-3+,6-4+
InChIKey VPJSIMHTDTXSFG-GGWOSOGESA-N
Mol Weight 171.15 g/mol
Molecular Formula C7H9NO4
Exact Mass 171.053158 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4ZqW8sOW4qP
Name 5-NITRO-2,4-HEXADIENOIC-ACID-METHYLESTER
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H9NO4
InChI InChI=1S/C7H9NO4/c1-6(8(10)11)4-3-5-7(9)12-2/h3-5H,1-2H3/b5-3+,6-4+
InChIKey VPJSIMHTDTXSFG-GGWOSOGESA-N
Literature Reference Author T.OSAWA,M.NAMIKI
Literature Reference Citation AGR.BIOL.CHEM.,46,2299(1982)
Literature Reference DOI 10.1271/bbb1961.46.2299
Molecular Weight 171.153 g/mol
Solvent CDCl3
Source File Reference UWBT8400