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5-(1,2-DIACETOXYETHYL)-2-(E)-5-ENE-HEPT-5-ENE-1,3-DIYNYLTHIOPHENE
SpectraBase Compound ID CWjK1jpW56g
InChI InChI=1S/C17H16O4S/c1-4-5-6-7-8-9-15-10-11-17(22-15)16(21-14(3)19)12-20-13(2)18/h4-5,10-11,16H,12H2,1-3H3/b5-4+
InChIKey SZRQIJOTIIDHCG-SNAWJCMRSA-N
Mol Weight 316.37 g/mol
Molecular Formula C17H16O4S
Exact Mass 316.07693 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID buIlpvOZFZ
Name 5-(1,2-DIACETOXYETHYL)-2-(E)-5-ENE-HEPT-5-ENE-1,3-DIYNYLTHIOPHENE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H16O4S
InChI InChI=1S/C17H16O4S/c1-4-5-6-7-8-9-15-10-11-17(22-15)16(21-14(3)19)12-20-13(2)18/h4-5,10-11,16H,12H2,1-3H3/b5-4+
InChIKey SZRQIJOTIIDHCG-SNAWJCMRSA-N
Literature Reference Author Y.TIAN,X.WEI,H.XU
Literature Reference Citation J.NAT.PROD.,69,1241(2006)
Literature Reference DOI 10.1021/np060209b
Molecular Weight 316.372 g/mol
Solvent CDCl3
Source File Reference UWMZ15625