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4-Geranoyl sinapic acid methyl ester
SpectraBase Compound ID Cs49m3IfVMF
InChI InChI=1S/C22H30O5/c1-16(2)8-7-9-17(3)12-13-27-22-19(24-4)14-18(15-20(22)25-5)10-11-21(23)26-6/h8,10-12,14-15H,7,9,13H2,1-6H3/b11-10?,17-12+
InChIKey QGTOPJKPEZGDPM-OJLVLUGUSA-N
Mol Weight 374.48 g/mol
Molecular Formula C22H30O5
Exact Mass 374.209324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KQbe6j4IMlh
Name 4-Geranoyl sinapic acid methyl ester
Appearance gum
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Formula C22H30O5
InChI InChI=1S/C22H30O5/c1-16(2)8-7-9-17(3)12-13-27-22-19(24-4)14-18(15-20(22)25-5)10-11-21(23)26-6/h8,10-12,14-15H,7,9,13H2,1-6H3/b11-10?,17-12+
InChIKey QGTOPJKPEZGDPM-OJLVLUGUSA-N
Instrument Name VG Auto Spec-3000
Ionization Type EI
Literature Reference DOI 10.1021/np0200257
Molecular Weight 374.477 g/mol
Reported Formula C22H30O5
SMILES c1(cc(cc(c1OC\C=C\(CCC=C(C)C)C)OC)C=CC(OC)=O)OC
SPLASH splash10-000i-1090000000-39b1038b061acd8b0f21
Source of Spectrum G4-65-905-10
Wiley ID 1883722