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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 FDxQd3vObOX
Name 5-Nitro-hexa-2,4-dienoic acid, methyl ester
CAS Registry Number 103249-42-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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
Instrument Name Bruker AM-360
Literature Reference A.J. Bloom, J.M. Mellor, J. Chem. Soc. Perkin I 2737 (1987).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported