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1-Methyl-bicyclo(2.1.1)hexan-2-one
SpectraBase Compound ID HdANZCRn4BQ
InChI InChI=1S/C7H10O/c1-7-3-5(4-7)2-6(7)8/h5H,2-4H2,1H3/t5-,7+
InChIKey IWPNTUFGESKFEQ-IAQIWYKVSA-N
Mol Weight 110.16 g/mol
Molecular Formula C7H10O
Exact Mass 110.073165 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 53M2CqYB4G0
Name 1-METHYLBICYCLO[2.1.1]HEXAN-2-ONE
Source of Sample T. Gibson Org. Magn. Resonance 21, 482 (1983)
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H10O
InChI InChI=1S/C7H10O/c1-7-3-5(4-7)2-6(7)8/h5H,2-4H2,1H3/t5-,7+
InChIKey IWPNTUFGESKFEQ-IAQIWYKVSA-N
Molecular Weight 110.16
Solvent Chloroform-d; Reference=TMS; Temperature=Ambient Spectrometer= Varian CFT-20
Synonyms BICYCLO/2.1.1/HEXAN-2-ONE, 1-METHYL-,