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3-(BUT-3-EN-1-YN-1-YL)-4,4-DIMETHOXYCYCLOHEXA-2,5-DIEN-1-ONE
SpectraBase Compound ID 4f4JTwaniBf
InChI InChI=1S/C12H12O3/c1-4-5-6-10-9-11(13)7-8-12(10,14-2)15-3/h4,7-9H,1H2,2-3H3
InChIKey KWSLRFCWZBSULS-UHFFFAOYSA-N
Mol Weight 204.22 g/mol
Molecular Formula C12H12O3
Exact Mass 204.078644 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KF5OOAitDnD
Name 3-(BUT-3-EN-1-YN-1-YL)-4,4-DIMETHOXYCYCLOHEXA-2,5-DIEN-1-ONE
Compound Number 19
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H12O3
InChI InChI=1S/C12H12O3/c1-4-5-6-10-9-11(13)7-8-12(10,14-2)15-3/h4,7-9H,1H2,2-3H3
InChIKey KWSLRFCWZBSULS-UHFFFAOYSA-N
Literature Reference Author D.R.HOOKINS,A.R.BURNS,R.J.K.TAYLOR
Literature Reference Citation EUR.J.ORG.CHEM.,2011,451(2011)
Literature Reference DOI 10.1002/ejoc.201001402
Molecular Weight 204.225 g/mol
Solvent CDCl3
Source File Reference UWBT21324