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3-(3,4-dimethoxybenzyl)-4-methoxy-4-oxobutanoic acid
SpectraBase Compound ID 1XnpugnB8W9
InChI InChI=1S/C14H18O6/c1-18-11-5-4-9(7-12(11)19-2)6-10(8-13(15)16)14(17)20-3/h4-5,7,10H,6,8H2,1-3H3,(H,15,16)
InChIKey DPKYOILHCYHSCU-UHFFFAOYSA-N
Mol Weight 282.29 g/mol
Molecular Formula C14H18O6
Exact Mass 282.110338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BpsNIB1qaWM
Name 3-(3,4-dimethoxybenzyl)-4-methoxy-4-oxobutanoic acid
CAS Registry Number 78647-52-6
Comments Less than 3 mono-isotopic peaks
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Formula C14H18O6
InChI InChI=1S/C14H18O6/c1-18-11-5-4-9(7-12(11)19-2)6-10(8-13(15)16)14(17)20-3/h4-5,7,10H,6,8H2,1-3H3,(H,15,16)
InChIKey DPKYOILHCYHSCU-UHFFFAOYSA-N
Molecular Weight 282.292 g/mol
SMILES OC(CC(C(=O)OC)Cc1cc(OC)c(cc1)OC)=O
SPLASH splash10-0udi-0910000000-54b3a1a06bdf6de694e8
Source of Spectrum B-41-915-0
Synonyms 3-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-4-oxidanylidene-butanoic acid 3-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-4-oxo-butanoic acid 4-keto-4-methoxy-3-veratryl-butyric acid
Wiley ID 1285624