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trans-3,3a,4,5,6,6a-HEXAHYDRO-5-HYDROXY-2(1H)-PENTALENONE
SpectraBase Compound ID 77jnF5oi4r0
InChI InChI=1S/C8H12O2/c9-7-1-5-2-8(10)4-6(5)3-7/h5-7,9H,1-4H2
InChIKey PQWWWWBPUGFVIZ-UHFFFAOYSA-N
Mol Weight 140.18 g/mol
Molecular Formula C8H12O2
Exact Mass 140.08373 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HfnlodisbKy
Name trans-3,3a,4,5,6,6a-HEXAHYDRO-5-HYDROXY-2(1H)-PENTALENONE
Source of Sample P. H. Schippers, H. P. Dekkers J. Amer. Chem. Soc. 105, 145(1983)
CAS Registry Number 83998-85-0
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12O2
InChI InChI=1S/C8H12O2/c9-7-1-5-2-8(10)4-6(5)3-7/h5-7,9H,1-4H2
InChIKey PQWWWWBPUGFVIZ-UHFFFAOYSA-N
Molecular Weight 140.18
Solvent Chloroform-d; Reference=TMS; Temperature=Ambient Spectrometer= Not Reported
Synonyms PENTALENONE, 2/1H/-, 3,3A,4,5,6,6A-HEXAHYDRO-5-HYDROXY-, trans-, BICYCLO/3.3.0/OCTAN-3-ONE, 7-HYDROXY-, trans-,