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9-(2'-ACETOXY-4',4'-DIMETHYL-6'-OXO-1'CYCLOHEXEN-1-YL)-3,3-DIMETHYL-1,2,3,4-TETRAHYDRO-9-H-XANTHEN-1-ONE
SpectraBase Compound ID EMMP8B6XxJK
InChI InChI=1S/C25H28O5/c1-14(26)29-19-12-24(2,3)10-16(27)22(19)21-15-8-6-7-9-18(15)30-20-13-25(4,5)11-17(28)23(20)21/h6-9,21H,10-13H2,1-5H3
InChIKey MBNUYNRJAIEFPR-UHFFFAOYSA-N
Mol Weight 408.49 g/mol
Molecular Formula C25H28O5
Exact Mass 408.193674 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AuS3jmcWcbv
Name 9-(2'-ACETOXY-4',4'-DIMETHYL-6'-OXO-1'CYCLOHEXEN-1-YL)-3,3-DIMETHYL-1,2,3,4-TETRAHYDRO-9-H-XANTHEN-1-ONE
Compound Number X
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H28O5
InChI InChI=1S/C25H28O5/c1-14(26)29-19-12-24(2,3)10-16(27)22(19)21-15-8-6-7-9-18(15)30-20-13-25(4,5)11-17(28)23(20)21/h6-9,21H,10-13H2,1-5H3
InChIKey MBNUYNRJAIEFPR-UHFFFAOYSA-N
Literature Reference Author A.N.PYRKO
Literature Reference Citation CHEM.HET.COMP.,32,635(1996)
Literature Reference DOI 10.1007/bf01164861
Molecular Weight 408.494 g/mol
Solvent CDCl3
Source File Reference UWMZ13870