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5'-HYDROXYMETHYL-5-[BUTYL-3-EN-1-YN]-2,2'-BITHIOPHENE-ISOVALEROXY-ESTER
SpectraBase Compound ID KfdDS4Cm514
InChI InChI=1S/C18H18O2S2/c1-4-5-6-14-7-9-16(21-14)17-10-8-15(22-17)12-20-18(19)11-13(2)3/h4,7-10,13H,1,11-12H2,2-3H3
InChIKey ABERUZRGTVCXIS-UHFFFAOYSA-N
Mol Weight 330.46 g/mol
Molecular Formula C18H18O2S2
Exact Mass 330.074822 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hktc8FRpKUR
Name 5'-HYDROXYMETHYL-5-[BUTYL-3-EN-1-YN]-2,2'-BITHIOPHENE-ISOVALEROXY-ESTER
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H18O2S2
InChI InChI=1S/C18H18O2S2/c1-4-5-6-14-7-9-16(21-14)17-10-8-15(22-17)12-20-18(19)11-13(2)3/h4,7-10,13H,1,11-12H2,2-3H3
InChIKey ABERUZRGTVCXIS-UHFFFAOYSA-N
Literature Reference Author V.U.AHMAD,N.ALAM
Literature Reference Citation J.NAT.PROD.,58,1426(1995)
Literature Reference DOI 10.1021/np50123a014
Molecular Weight 330.460 g/mol
Solvent CDCl3
Source File Reference UWCS23231