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2-(Cyclohept-2-en-1-on-2-yl-methyl)-malonic acid, dimethyl ester

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2-(Cyclohept-2-en-1-on-2-yl-methyl)-malonic acid, dimethyl ester
SpectraBase Compound ID 6aQ87kXroE6
InChI InChI=1S/C13H18O5/c1-17-12(15)10(13(16)18-2)8-9-6-4-3-5-7-11(9)14/h6,10H,3-5,7-8H2,1-2H3
InChIKey YVYXQQJEPLOCOV-UHFFFAOYSA-N
Mol Weight 254.28 g/mol
Molecular Formula C13H18O5
Exact Mass 254.115424 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ECckQHLQxvm
Name 2-(Cyclohept-2-en-1-on-2-yl-methyl)-malonic acid, dimethyl ester
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H18O5
InChI InChI=1S/C13H18O5/c1-17-12(15)10(13(16)18-2)8-9-6-4-3-5-7-11(9)14/h6,10H,3-5,7-8H2,1-2H3
InChIKey YVYXQQJEPLOCOV-UHFFFAOYSA-N
Literature Reference R. Tamura, H. Katayama, K. Watabe, Tetrahedron 46, 7557 (1990).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3