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4A,1-(TRANS)-2,3,4,4A,9,9A-HEXAHYDRO-1H-XANTHENE-1,8-DIOL;CIS-ISOMER
SpectraBase Compound ID F5IHTswvE0n
InChI InChI=1S/C13H16O3/c14-10-3-1-5-12-8(10)7-9-11(15)4-2-6-13(9)16-12/h1,3,5,9,11,13-15H,2,4,6-7H2/t9-,11+,13-/m1/s1
InChIKey GZIGXTWKERNRRL-SUZMYJTESA-N
Mol Weight 220.27 g/mol
Molecular Formula C13H16O3
Exact Mass 220.109944 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kwx6UEFR9Vq
Name 4A,1-(TRANS)-2,3,4,4A,9,9A-HEXAHYDRO-1H-XANTHENE-1,8-DIOL;CIS-ISOMER
Compound Number 97
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H16O3
InChI InChI=1S/C13H16O3/c14-10-3-1-5-12-8(10)7-9-11(15)4-2-6-13(9)16-12/h1,3,5,9,11,13-15H,2,4,6-7H2/t9-,11+,13-/m1/s1
InChIKey GZIGXTWKERNRRL-SUZMYJTESA-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 220.268 g/mol
Solvent DMSO-D6
Source File Reference UWIR19927