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4A,1-(TRANS)-6-METHYL-2,3,4,4A,9,9A-HEXAHYDRO-1H-XANTHEN-1,8-DIOL;TRANS-ISOMER
SpectraBase Compound ID 7DTi37H4931
InChI InChI=1S/C14H18O3/c1-8-5-12(16)10-7-9-11(15)3-2-4-13(9)17-14(10)6-8/h5-6,9,11,13,15-16H,2-4,7H2,1H3/t9-,11-,13+/m0/s1
InChIKey HNZLNUNKSKPCII-XHVZSJERSA-N
Mol Weight 234.29 g/mol
Molecular Formula C14H18O3
Exact Mass 234.125594 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ceq2nNEGUJ2
Name 4A,1-(TRANS)-6-METHYL-2,3,4,4A,9,9A-HEXAHYDRO-1H-XANTHEN-1,8-DIOL;TRANS-ISOMER
Compound Number 98
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H18O3
InChI InChI=1S/C14H18O3/c1-8-5-12(16)10-7-9-11(15)3-2-4-13(9)17-14(10)6-8/h5-6,9,11,13,15-16H,2-4,7H2,1H3/t9-,11-,13+/m0/s1
InChIKey HNZLNUNKSKPCII-XHVZSJERSA-N
Literature Reference Author A.C.MEISTER,A.ENCINAS,H.SAHIN,E.M.C.SINGER,C.F.NISING,M.NIEG ER,S.BRAESE
Literature Reference Citation EUR.J.ORG.CHEM.,2014,4861(2014)
Literature Reference DOI 10.1002/ejoc.201402083
Molecular Weight 234.295 g/mol
Solvent CDCl3
Source File Reference UWIR19928