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TRANS-3,4-DIMETHYLCYCLOPENTANON

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TRANS-3,4-DIMETHYLCYCLOPENTANON
SpectraBase Compound ID HWXtJQ5NVhk
InChI InChI=1S/C7H12O/c1-5-3-7(8)4-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1
InChIKey ZMGMYCHEWPVBEL-WDSKDSINSA-N
Mol Weight 112.17 g/mol
Molecular Formula C7H12O
Exact Mass 112.088815 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IgL5f3F2QkR
Name TRANS-3,4-DIMETHYLCYCLOPENTANON
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H12O
InChI InChI=1S/C7H12O/c1-5-3-7(8)4-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1
InChIKey ZMGMYCHEWPVBEL-WDSKDSINSA-N
Literature Reference Author J.B.STOTHERS,C.T.TAN
Literature Reference Citation CAN.J.CHEM.,52,308(1974)
Literature Reference DOI 10.1139/v74-050
Molecular Weight 112.172 g/mol
Solvent CDCl3
Source File Reference UNIW11044