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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 HVRzSZMRcIw
Name Z-Ligustilide
Carrier Gas Helium (1.0 mL/min)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 190.099379689 u
Formula C12H14O2
GC Column HP-5MS (30 m x 0.25 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 250oC
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
Instrument Name Agilent 6890N GC-Agilent 5973N
Ionization Type EI
Literature Reference DOI 10.1002/jssc.200800332
Molecular Weight 190.242 g/mol
Quality 268
SMILES C1(C2=C(CCC=C2)\C(O1)=C\CCC)=O
SPLASH splash10-08fv-2900000000-84e9d2b81511755220a5
Source of Spectrum SEP-31-3235-Peak no. 8 (DOI: 10.1002/jssc.200800332)
Wiley ID 1907971