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2-METHYL-4-(2,2-DIMETHYL-CYCLO-PENT-3-EN-1-YL)-BUTANAL
SpectraBase Compound ID 6QoikJYPMqd
InChI InChI=1S/C12H20O/c1-10(9-13)6-7-11-5-4-8-12(11,2)3/h4,8-11H,5-7H2,1-3H3
InChIKey QNANYGOCIBERMC-UHFFFAOYSA-N
Mol Weight 180.29 g/mol
Molecular Formula C12H20O
Exact Mass 180.151415 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7TIZMhmFfTL
Name 2-METHYL-4-(2,2-DIMETHYL-CYCLO-PENT-3-EN-1-YL)-BUTANAL
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H20O
InChI InChI=1S/C12H20O/c1-10(9-13)6-7-11-5-4-8-12(11,2)3/h4,8-11H,5-7H2,1-3H3
InChIKey QNANYGOCIBERMC-UHFFFAOYSA-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 180.290 g/mol
Solvent CDCl3
Source File Reference UWRU1118