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3-SULFANYL-4-METHYLPENTYL-ACETATE
SpectraBase Compound ID 4sXT6SDFjxo
InChI InChI=1S/C8H16O2S/c1-6(2)8(11)4-5-10-7(3)9/h6,8,11H,4-5H2,1-3H3
InChIKey FUKXUTGOOPFOGB-UHFFFAOYSA-N
Mol Weight 176.27 g/mol
Molecular Formula C8H16O2S
Exact Mass 176.087101 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3iR8Ld1HJrS
Name 3-SULFANYL-4-METHYLPENTYL-ACETATE
Compound Number 3S4MPA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H16O2S
InChI InChI=1S/C8H16O2S/c1-6(2)8(11)4-5-10-7(3)9/h6,8,11H,4-5H2,1-3H3
InChIKey FUKXUTGOOPFOGB-UHFFFAOYSA-N
Literature Reference Author K.TAKOI,M.DEGUEIL,S.SHINKARUK,C.THIBON,K.MAEDA,K.ITO,B.BENNE TAU,D.DUBOURDIEU,T.T
Literature Reference Citation J.AGR.FOOD.CHEM.,57,2493(2009)
Literature Reference DOI 10.1021/jf8034622
Molecular Weight 176.274 g/mol
Sample ID 41760
Solvent CDCl3