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2,5-HEXADIENOIC ACID, METHYL ESTER
SpectraBase Compound ID 2KOM1JpOOS9
InChI InChI=1S/C7H10O2/c1-3-4-5-6-7(8)9-2/h3,5-6H,1,4H2,2H3/b6-5+
InChIKey ODLGSRPFJDMGNW-AATRIKPKSA-N
Mol Weight 126.15 g/mol
Molecular Formula C7H10O2
Exact Mass 126.06808 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GuAo2c2jynJ
Name Hexa-2,5-dienoic acid, methyl ester
CAS Registry Number 5889-42-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C7H10O2
InChI InChI=1S/C7H10O2/c1-3-4-5-6-7(8)9-2/h3,5-6H,1,4H2,2H3/b6-5+
InChIKey ODLGSRPFJDMGNW-AATRIKPKSA-N
Instrument Name Jeol FX-100
Literature Reference F.K. Sheffy, J.P. Godschalx, J.K.Stille, J. Am. Chem. Soc. 106, 4833 (1984).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3