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3-(But-3-en-1-yl)-5-methyl-2-oxo-cyclopentanecarboxylic acid, methyl ester

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3-(But-3-en-1-yl)-5-methyl-2-oxo-cyclopentanecarboxylic acid, methyl ester
SpectraBase Compound ID BC3Tp6ARDas
InChI InChI=1S/C12H18O3/c1-4-5-6-9-7-8(2)10(11(9)13)12(14)15-3/h4,8-10H,1,5-7H2,2-3H3
InChIKey CRSCSJSXGUXKEM-UHFFFAOYSA-N
Mol Weight 210.27 g/mol
Molecular Formula C12H18O3
Exact Mass 210.125594 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CgRHzN8Dy0E
Name 3-(But-3-en-1-yl)-5-methyl-2-oxo-cyclopentanecarboxylic acid, methyl ester
CAS Registry Number 104620-13-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H18O3
InChI InChI=1S/C12H18O3/c1-4-5-6-9-7-8(2)10(11(9)13)12(14)15-3/h4,8-10H,1,5-7H2,2-3H3
InChIKey CRSCSJSXGUXKEM-UHFFFAOYSA-N
Literature Reference D.F. Taber, R.E. Ruckle, J. Am. Chem. Soc. 108, 7686 (1986).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported