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(Z)-3-(2,5-Dimethoxy-benzyl)-4-hydroxy-but-3-en-2-one
SpectraBase Compound ID 4P3XHodAX4W
InChI InChI=1S/C13H16O4/c1-9(15)11(8-14)6-10-7-12(16-2)4-5-13(10)17-3/h4-5,7-8,14H,6H2,1-3H3/b11-8-
InChIKey YGMYGOKGRFSTGJ-FLIBITNWSA-N
Mol Weight 236.27 g/mol
Molecular Formula C13H16O4
Exact Mass 236.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Eg5tuozUisd
Name (Z)-3-(2,5-Dimethoxy-benzyl)-4-hydroxy-but-3-en-2-one
Alternate Name(s) (3Z)-3-(2,5-dimethoxybenzyl)-4-hydroxy-3-buten-2-one 3-(2',5'-Dimethoxyphenyl)-3-hydroxybuten-2-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-9(15)11(8-14)6-10-7-12(16-2)4-5-13(10)17-3/h4-5,7-8,14H,6H2,1-3H3/b11-8-
InChIKey YGMYGOKGRFSTGJ-FLIBITNWSA-N
Molecular Weight 236.267 g/mol
SMILES O\C=C\(Cc1c(ccc(c1)OC)OC)C(=O)C
SPLASH splash10-000f-9080000000-ff4b6a2482a5932604f2
Source of Spectrum D8-328-540-17
Wiley ID 1515961