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Z-Ligustilide
SpectraBase Compound ID 8LnZ3Naip9c
InChI InChI=1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h5,7-8H,2-4,6H2,1H3/b11-8-
InChIKey IQVQXVFMNOFTMU-FLIBITNWSA-N
Mol Weight 190.24 g/mol
Molecular Formula C12H14O2
Exact Mass 190.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8BEnV1AKk1q
Name Ligustilide
CAS Registry Number 81944-09-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O2
InChI InChI=1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h5,7-8H,2-4,6H2,1H3/b11-8-
InChIKey IQVQXVFMNOFTMU-FLIBITNWSA-N
Molecular Weight 190.242 g/mol
SMILES C1=2C(O\C(C2CCC=C1)=C\CCC)=O
SPLASH splash10-0a6r-9800000000-0191a38f3ad4634cab5f
Source of Spectrum G4-71-1610-1
Synonyms Z-Ligustilide (Z)-Ligustilide (3Z)-3-butylidene-4,5-dihydro-2-benzofuran-1-one (3Z)-3-butylidene-4,5-dihydroisobenzofuran-1-one
Wiley ID 1695158