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(1R,3aR,4S,6aS)-1-Allyl-4-methyl-3,3a,4,6a-tetrahydropentalen-2(1H)-one
SpectraBase Compound ID BSSjHZI3nVs
InChI InChI=1S/C12H16O/c1-3-4-10-9-6-5-8(2)11(9)7-12(10)13/h3,5-6,8-11H,1,4,7H2,2H3/t8-,9+,10+,11+/m0/s1
InChIKey OUKVWBBVRMSRRD-LNFKQOIKSA-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 Hn6Q9y8AC9p
Name (1R,3AR,4S,6AS)-1-ALLYL-4-METHYL-3,3A,4,6A-TETRAHYDROPENTALEN-2(1H)-ONE
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H16O
InChI InChI=1S/C12H16O/c1-3-4-10-9-6-5-8(2)11(9)7-12(10)13/h3,5-6,8-11H,1,4,7H2,2H3/t8-,9+,10+,11+/m0/s1
InChIKey OUKVWBBVRMSRRD-LNFKQOIKSA-N
Literature Reference Author V.LUTZ,N.PARK,C.ROTHE,C.KRUEGER,A.BARO,S.LASCHAT
Literature Reference Citation EUR.J.ORG.CHEM.,2013,761(2013)
Literature Reference DOI 10.1002/ejoc.201201409
Molecular Weight 176.258 g/mol
Solvent CDCl3
Source File Reference UWBT17475