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(3-S,5-R,6-S,7-E)-3-TETRADECANOATE-5,6-EPOXY-BETA-IONONE
SpectraBase Compound ID 4KdgWRCRu5D
InChI InChI=1S/C27H46O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-24(29)30-23-20-25(3,4)27(19-18-22(2)28)26(5,21-23)31-27/h18-19,23H,6-17,20-21H2,1-5H3/b19-18+/t23-,26+,27-/m0/s1
InChIKey YKFINIJXJPTKCG-BKDIBEJSSA-N
Mol Weight 434.7 g/mol
Molecular Formula C27H46O4
Exact Mass 434.33961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CwCFUJQmea0
Name (3-S,5-R,6-S,7-E)-3-TETRADECANOATE-5,6-EPOXY-BETA-IONONE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H46O4
InChI InChI=1S/C27H46O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-24(29)30-23-20-25(3,4)27(19-18-22(2)28)26(5,21-23)31-27/h18-19,23H,6-17,20-21H2,1-5H3/b19-18+/t23-,26+,27-/m0/s1
InChIKey YKFINIJXJPTKCG-BKDIBEJSSA-N
Literature Reference Author W.H.CHEN,X.M.MA,Q.X.WU,Y.P.SHI
Literature Reference Citation CAN.J.CHEM.,86,892(2008)
Literature Reference DOI 10.1139/v08-097
Molecular Weight 434.660 g/mol
Solvent CDCl3
Source File Reference UWMZ46080