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3-(Methyl-4-carboxyl-3-cyclohexenyl)-butanoic acid

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3-(Methyl-4-carboxyl-3-cyclohexenyl)-butanoic acid
SpectraBase Compound ID EB06G3xmwU2
InChI InChI=1S/C12H18O4/c1-8(7-11(13)14)9-3-5-10(6-4-9)12(15)16-2/h5,8-9H,3-4,6-7H2,1-2H3,(H,13,14)
InChIKey QCUJIZMKAYFLTF-UHFFFAOYSA-N
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LuoIvqG0oyM
Name 3-(Methyl-4-carboxyl-3-cyclohexenyl)-butanoic acid
CAS Registry Number 72457-75-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-8(7-11(13)14)9-3-5-10(6-4-9)12(15)16-2/h5,8-9H,3-4,6-7H2,1-2H3,(H,13,14)
InChIKey QCUJIZMKAYFLTF-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference D.A. Evans, J.V. Nelson, J. Am. Chem. Soc. 102, 774 (1980).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3