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Ligustilide

View entire compound with spectra: 1 NMR, and 4 MS (GC)

Ligustilide<E->
SpectraBase Compound ID Gf0RbiJvZvq
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-DHZHZOJOSA-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 LrVqygaEqA0
Name Butylidene dihydro-phthalide
Alternate Name(s) Ligustilide
CAS Registry Number 4431-01-0
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-DHZHZOJOSA-N
Molecular Weight 190.242 g/mol
SMILES C1=2C(O\C(C2CCC=C1)=C/CCC)=O
SPLASH splash10-0a4i-6900000000-1e7f3ab2b18f3c625b54
Source of Spectrum MG-725-0-0
Wiley ID 1186681