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2-METHYL-4-(2,2-DIMETHYL-CYCLOPENT-3-ENYL)-BUT-2-ENAL
SpectraBase Compound ID JwExCj3GYQH
InChI InChI=1S/C12H18O/c1-10(9-13)6-7-11-5-4-8-12(11,2)3/h4,6,8-9,11H,5,7H2,1-3H3/b10-6+
InChIKey PFSXRZSXTWGPTD-UXBLZVDNSA-N
Mol Weight 178.27 g/mol
Molecular Formula C12H18O
Exact Mass 178.135765 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 987i2lfi5nI
Name 2-METHYL-4-(2,2-DIMETHYL-CYCLO-PENT-3-EN-1-YL)-BUT-2-ENAL
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H18O
InChI InChI=1S/C12H18O/c1-10(9-13)6-7-11-5-4-8-12(11,2)3/h4,6,8-9,11H,5,7H2,1-3H3/b10-6+
InChIKey PFSXRZSXTWGPTD-UXBLZVDNSA-N
Literature Reference Author M.FINDEISEN,C.PREHN,L.HENNIG,K.SCHULZE
Literature Reference Citation MAGN.RES.CHEM.,36,457(1998)
Literature Reference DOI 10.1002/(sici)1097-458x(199806)36:6<457::aid-omr243>3.0.co;2-3
Molecular Weight 178.274 g/mol
Solvent CDCl3
Source File Reference UWRU1120