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(3aS*,4S*,6aS*)-3a-Methyl-4-prop-2'-ynyl-1,3,3a,4,5,6-hexahydro-pentalen-2(3H)-one
SpectraBase Compound ID 4HNs6M1ZCPs
InChI InChI=1S/C12H16O/c1-3-4-9-5-6-10-7-11(13)8-12(9,10)2/h1,9-10H,4-8H2,2H3/t9-,10+,12+/m1/s1
InChIKey SWPWZCNVQANUFC-SCVCMEIPSA-N
Mol Weight 176.26 g/mol
Molecular Formula C12H16O
Exact Mass 176.120115 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DiIp6an8Eul
Name (3AS*,4S*,6AS*)-3A-METHYL-4-PROP-2'-YNYL-1,3,3A,4,5,6-HEXAHYDROPENTALEN-2(3H)-ONE
Compound Number 39
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H16O
InChI InChI=1S/C12H16O/c1-3-4-9-5-6-10-7-11(13)8-12(9,10)2/h1,9-10H,4-8H2,2H3/t9-,10+,12+/m1/s1
InChIKey SWPWZCNVQANUFC-SCVCMEIPSA-N
Literature Reference Author N.T.TZVETKOV,B.NEUMANN,H.G.STAMMLER,J.MATTAY
Literature Reference Citation EUR.J.ORG.CHEM.,351(2006)
Literature Reference DOI 10.1002/ejoc.200500546
Molecular Weight 176.258 g/mol
Sample ID 42842
Solvent C6D6