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(2E,4Z)-3-(2-Carboxy-3,5-dimethoxyphenyl)-4-methylhexa-2,4-dienoic Acid
SpectraBase Compound ID LgZoy6AbYnI
InChI InChI=1S/C16H16O8/c1-8(4-13(17)18)10(7-14(19)20)11-5-9(23-2)6-12(24-3)15(11)16(21)22/h4-7H,1-3H3,(H,17,18)(H,19,20)(H,21,22)/b8-4-,10-7+
InChIKey WIWJCFCGEMAKLT-WULZKXQJSA-N
Mol Weight 336.3 g/mol
Molecular Formula C16H16O8
Exact Mass 336.084517 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1r3Sundvhpp
Name (2E,4Z)-3-(2-Carboxy-3,5-dimethoxyphenyl)-4-methylhexa-2,4-dienoic Acid
Appearance Light brown solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16O8
InChI InChI=1S/C16H16O8/c1-8(4-13(17)18)10(7-14(19)20)11-5-9(23-2)6-12(24-3)15(11)16(21)22/h4-7H,1-3H3,(H,17,18)(H,19,20)(H,21,22)/b8-4-,10-7+
InChIKey WIWJCFCGEMAKLT-WULZKXQJSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201801801
Reported Formula C16H15O8
SMILES OC(\C=C/(\C(=C/C(O)=O)c1c(c(cc(c1)OC)OC)C(=O)O)C)=O
SPLASH splash10-0002-0091000000-8f4dce0e2cb0bc3dcaff
Source of Spectrum U1-2019-SM11-18
Thin-Layer Chromatography Rf = 0.11 (CH2Cl2/MeOH/ AcOH, 100:10:1)
Wiley ID 1848610