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3-(3,4-[Methylenedioxy]-phenyl)-2-cyclohexen-1-one

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3-(3,4-[Methylenedioxy]-phenyl)-2-cyclohexen-1-one
SpectraBase Compound ID CajYyjzU61m
InChI InChI=1S/C13H12O3/c14-11-3-1-2-9(6-11)10-4-5-12-13(7-10)16-8-15-12/h4-7H,1-3,8H2
InChIKey MXLZCNRUWFQQCV-UHFFFAOYSA-N
Mol Weight 216.24 g/mol
Molecular Formula C13H12O3
Exact Mass 216.078644 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hn5YPMHHEBx
Name 3-(3,4-[Methylenedioxy]-phenyl)-2-cyclohexen-1-one
CAS Registry Number 77545-60-9
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C13H12O3
InChI InChI=1S/C13H12O3/c14-11-3-1-2-9(6-11)10-4-5-12-13(7-10)16-8-15-12/h4-7H,1-3,8H2
InChIKey MXLZCNRUWFQQCV-UHFFFAOYSA-N
Instrument Name Varian SC-300
Literature Reference G.E. Keck, R.R. Webb, J. Am. Chem. Soc. 103, 3173 (1981).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3