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(3S,8S,Z)-HEPTADECA-1,9-DIEN-4,6-DIYNE-3,8-DIYL-DIACETATE
SpectraBase Compound ID DLoU4MsHm53
InChI InChI=1S/C21H28O4/c1-5-7-8-9-10-11-12-16-21(25-19(4)23)17-14-13-15-20(6-2)24-18(3)22/h6,12,16,20-21H,2,5,7-11H2,1,3-4H3/b16-12-/t20-,21-/m0/s1
InChIKey PCLIIRHJLIGXCK-UMOOWGPGSA-N
Mol Weight 344.45 g/mol
Molecular Formula C21H28O4
Exact Mass 344.198759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8SxkodeCQSe
Name (3S,8S,Z)-HEPTADECA-1,9-DIEN-4,6-DIYNE-3,8-DIYL-DIACETATE
Compound Number OHR-2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H28O4
InChI InChI=1S/C21H28O4/c1-5-7-8-9-10-11-12-16-21(25-19(4)23)17-14-13-15-20(6-2)24-18(3)22/h6,12,16,20-21H,2,5,7-11H2,1,3-4H3/b16-12-/t20-,21-/m0/s1
InChIKey PCLIIRHJLIGXCK-UMOOWGPGSA-N
Literature Reference Author L.Z.MENG,W.H.HUANG,C.Z.WANG,C.S.YUAN,S.P.LI
Literature Reference Citation MOLECULES,19,6142(2014)
Literature Reference DOI 10.3390/molecules19056142
Molecular Weight 344.451 g/mol
Solvent CDCl3
Source File Reference UWIR14464