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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JFPQ42vFUPT
Name 8-(methyl thioglycolyl)-(3,8-dihydro)]-ligustilide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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
Molecular Weight 296.381 g/mol
SMILES C1(C2=C(CCC=C2)C(O1)C(SCC(=O)OC)CCC)=O
SPLASH splash10-0r0r-8900000000-6c2dc8f149e831ce03f0
Source of Spectrum G4-58-1053-2
Synonyms 3-{[1'-(Methoxycarbonyl)methylthio]butyl}-1,3,4,5-tetrahydro-benzoisofuran-1-one
Wiley ID 1605921