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XTQKCVAXPOCYKT-XEGUGMAKSA-N

View entire compound with spectra: 2 NMR, and 1 MS (GC)

XTQKCVAXPOCYKT-XEGUGMAKSA-N
SpectraBase Compound ID 821ThQiTD2p
InChI InChI=1S/C15H22O3/c1-14(2)7-4-8-15(3)10(14)6-5-9-11(15)13(17)18-12(9)16/h10,13,17H,4-8H2,1-3H3/t10-,13-,15-/m0/s1
InChIKey XTQKCVAXPOCYKT-XEGUGMAKSA-N
Mol Weight 250.34 g/mol
Molecular Formula C15H22O3
Exact Mass 250.156895 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CqrnQaaAzMS
Name 11-EPIVALDIVIOLIDE
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H22O3
InChI InChI=1S/C15H22O3/c1-14(2)7-4-8-15(3)10(14)6-5-9-11(15)13(17)18-12(9)16/h10,13,17H,4-8H2,1-3H3/t10-,13-,15-/m0/s1
InChIKey XTQKCVAXPOCYKT-XEGUGMAKSA-N
Literature Reference Author Y.SAKIO,Y.J.HIRANO,M.HAYASHI,K.KOMIYAMA,M.ISHIBASHI
Literature Reference Citation J.NAT.PROD.,64,726(2001)
Literature Reference DOI 10.1021/np000639g
Molecular Weight 250.338 g/mol
Solvent CDCl3
Source File Reference UWSI1549