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ISO-OCOBULLENONE

View entire compound with spectra: 2 NMR

ISO-OCOBULLENONE
SpectraBase Compound ID 7Z9pdZEHfqr
InChI InChI=1S/C21H22O6/c1-4-5-20-9-21(17(8-16(20)22)25-11-27-21)12(2)18(20)13-6-14(23-3)19-15(7-13)24-10-26-19/h4,6-8,12,18H,1,5,9-11H2,2-3H3/t12-,18+,20-,21+/m0/s1
InChIKey VMBFNOIPGQFDTB-XDCIRQQTSA-N
Mol Weight 370.4 g/mol
Molecular Formula C21H22O6
Exact Mass 370.141638 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IACLfoIQ5z8
Name ISO-OCOBULLENONE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22O6
InChI InChI=1S/C21H22O6/c1-4-5-20-9-21(17(8-16(20)22)25-11-27-21)12(2)18(20)13-6-14(23-3)19-15(7-13)24-10-26-19/h4,6-8,12,18H,1,5,9-11H2,2-3H3/t12-,18+,20-,21+/m0/s1
InChIKey VMBFNOIPGQFDTB-XDCIRQQTSA-N
Literature Reference Author S.E.DREWES,M.M.HORN,B.M.SEHLAPELO,N.RAMESAR,J.S.FIELD,R.S.SH AW,P.SANDOR
Literature Reference Citation PHYTOCHEM.,38,1505(1995)
Literature Reference DOI 10.1016/0031-9422(94)00824-D
Molecular Weight 370.402 g/mol
Solvent Unknown
Source File Reference UWMS4076