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2,2-DIMETHYL-1,3-DIOXA-4,5-BENZOCYCLOHEPTENE;(TWISTBOAT-CONFORMATION)
SpectraBase Compound ID JbWL6HgKCcW
InChI InChI=1S/C11H14O2/c1-11(2)12-8-7-9-5-3-4-6-10(9)13-11/h3-6H,7-8H2,1-2H3
InChIKey XLDMDVRBLSZPGQ-UHFFFAOYSA-N
Mol Weight 178.23 g/mol
Molecular Formula C11H14O2
Exact Mass 178.09938 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GBNUDfnCOut
Name 2,2-DIMETHYL-1,3-DIOXA-4,5-BENZOCYCLOHEPTENE;(TWISTBOAT-CONFORMATION)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H14O2
InChI InChI=1S/C11H14O2/c1-11(2)12-8-7-9-5-3-4-6-10(9)13-11/h3-6H,7-8H2,1-2H3
InChIKey XLDMDVRBLSZPGQ-UHFFFAOYSA-N
Literature Reference Author R.ST-AMOUR,M.T.P.VIET,M.ST-JAQUES
Literature Reference Citation CAN.J.CHEM.,62,2830(1984)
Literature Reference DOI 10.1139/v84-479
Molecular Weight 178.231 g/mol
Solvent CHClF2
Source File Reference UWED2394