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5-Heptenoic acid, methyl ester

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5-Heptenoic acid, methyl ester
SpectraBase Compound ID AOPTUfyN56D
InChI InChI=1S/C8H14O2/c1-3-4-5-6-7-8(9)10-2/h3-4H,5-7H2,1-2H3/b4-3+
InChIKey ARLQDYZAXIPMJQ-ONEGZZNKSA-N
Mol Weight 142.2 g/mol
Molecular Formula C8H14O2
Exact Mass 142.09938 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LIYA7mX14WV
Name trans-5-Heptenoic acid, methyl ester
CAS Registry Number 54004-28-3
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C8H14O2
InChI InChI=1S/C8H14O2/c1-3-4-5-6-7-8(9)10-2/h3-4H,5-7H2,1-2H3/b4-3+
InChIKey ARLQDYZAXIPMJQ-ONEGZZNKSA-N
Instrument Name Jeol FX-90
Literature Reference G.M. Rubottom, E.C. Beedle, C.W.Kim, J. Am. Chem. Soc. 107, 4230 (1985).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3