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4,4-DIMETHYL-3,5-DIOXACYCLOHEPTANONE

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4,4-DIMETHYL-3,5-DIOXACYCLOHEPTANONE
SpectraBase Compound ID GID7qq3p1g0
InChI InChI=1S/C7H12O3/c1-7(2)9-4-3-6(8)5-10-7/h3-5H2,1-2H3
InChIKey CMBZJDYCDJAHJV-UHFFFAOYSA-N
Mol Weight 144.17 g/mol
Molecular Formula C7H12O3
Exact Mass 144.078644 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9CtqL0NEusN
Name 4,4-DIMETHYL-3,5-DIOXACYCLOHEPTANONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H12O3
InChI InChI=1S/C7H12O3/c1-7(2)9-4-3-6(8)5-10-7/h3-5H2,1-2H3
InChIKey CMBZJDYCDJAHJV-UHFFFAOYSA-N
Literature Reference Author Y.S.OH,H.KOHN
Literature Reference Citation J.ORG.CHEM.,57,3662(1992)
Literature Reference DOI 10.1021/jo00039a028
Molecular Weight 144.170 g/mol
Solvent CDCl3
Source File Reference UWCS361