For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

8-(methyl thioglycolyl)-(3,8-dihydro)]-ligustilide

View entire compound with spectra: 1 NMR, and 1 MS (GC)

8-(methyl thioglycolyl)-(3,8-dihydro)]-ligustilide
SpectraBase Compound ID 1nKLPp5su6y
InChI InChI=1S/C15H20O4S/c1-3-6-12(20-9-13(16)18-2)14-10-7-4-5-8-11(10)15(17)19-14/h5,8,12,14H,3-4,6-7,9H2,1-2H3
InChIKey VMPPJJGIVNTAPW-UHFFFAOYSA-N
Mol Weight 296.38 g/mol
Molecular Formula C15H20O4S
Exact Mass 296.10823 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 1Y09LobGmc9
Name [8-(METHYL-THIOGLYCOLYL)-(3,8-DIHYDRO)]-LIGUSTILIDE
Compound Number 2
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H20O4S
InChI InChI=1S/C15H20O4S/c1-3-6-12(20-9-13(16)18-2)14-10-7-4-5-8-11(10)15(17)19-14/h5,8,12,14H,3-4,6-7,9H2,1-2H3
InChIKey VMPPJJGIVNTAPW-UHFFFAOYSA-N
Literature Reference Author J.J.BECK,F.R.STERMITZ
Literature Reference Citation J.NAT.PROD.,58,1047(1995)
Literature Reference DOI 10.1021/np50121a009
Molecular Weight 296.381 g/mol
Solvent CDCl3
Source File Reference UWVP6645