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3,8-Epoxy-ligustilide
SpectraBase Compound ID BMTH1TjXwFI
InChI InChI=1S/C12H14O3/c1-2-5-10-12(14-10)9-7-4-3-6-8(9)11(13)15-12/h4,7,10H,2-3,5-6H2,1H3
InChIKey YZRRODLYVRKFNW-UHFFFAOYSA-N
Mol Weight 206.24 g/mol
Molecular Formula C12H14O3
Exact Mass 206.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ls1zFe0bV1Y
Name 3,8-Epoxy-ligustilide
Alternate Name(s) 3-[(1',3-Epoxy)butyl]-4,5-dihydro-1-oxo-3H-isobenzofuran
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O3
InChI InChI=1S/C12H14O3/c1-2-5-10-12(14-10)9-7-4-3-6-8(9)11(13)15-12/h4,7,10H,2-3,5-6H2,1H3
InChIKey YZRRODLYVRKFNW-UHFFFAOYSA-N
Molecular Weight 206.241 g/mol
SMILES C12(OC2CCC)OC(=O)C2=C1C=CCC2
SPLASH splash10-0a4r-9600000000-16db0c9028e843c67d13
Source of Spectrum G4-71-1610-4
Wiley ID 1695156