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5-tert.-Butyl-1-oxacyclohepta-3,5-diene-2,7-dione
SpectraBase Compound ID Lw2bnuvCQgs
InChI InChI=1S/C10H12O3/c1-10(2,3)7-4-5-8(11)13-9(12)6-7/h4-6H,1-3H3
InChIKey AFVDWRQOUFFOBN-UHFFFAOYSA-N
Mol Weight 180.2 g/mol
Molecular Formula C10H12O3
Exact Mass 180.078644 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CGPe5Rc5mgq
Name 5-TERT.-BUTYL-1-OXACYCLOHEPTA-3,5-DIENE-2,7-DIONE
CAS Registry Number 72526-01-3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H12O3
InChI InChI=1S/C10H12O3/c1-10(2,3)7-4-5-8(11)13-9(12)6-7/h4-6H,1-3H3
InChIKey AFVDWRQOUFFOBN-UHFFFAOYSA-N
Literature Reference Author T.R.DEMMIN,M.M.ROGIC
Literature Reference Citation J.ORG.CHEM.,45,1153(1980)
Literature Reference DOI 10.1021/jo01294a047
Molecular Weight 180.203 g/mol
Solvent CDCl3
Source File Reference UNIW17698