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3-(2,3-dimethoxy-4-methyl-phenyl)-3-hydroxy-butanoic acid
SpectraBase Compound ID 1YRHDp8wVOP
InChI InChI=1S/C13H18O5/c1-8-5-6-9(12(18-4)11(8)17-3)13(2,16)7-10(14)15/h5-6,16H,7H2,1-4H3,(H,14,15)
InChIKey SOXSNUNKLVCIRD-UHFFFAOYSA-N
Mol Weight 254.28 g/mol
Molecular Formula C13H18O5
Exact Mass 254.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2jj19jCKrmm
Name 3-(2,3-dimethoxy-4-methyl-phenyl)-3-hydroxy-butanoic acid
Alternate Name(s) 3-(2,3-dimethoxy-4-methyl-phenyl)-3-hydroxy-butyric acid 3-(2,3-dimethoxy-4-methyl-phenyl)-3-oxidanyl-butanoic acid
CAS Registry Number 77869-45-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O5
InChI InChI=1S/C13H18O5/c1-8-5-6-9(12(18-4)11(8)17-3)13(2,16)7-10(14)15/h5-6,16H,7H2,1-4H3,(H,14,15)
InChIKey SOXSNUNKLVCIRD-UHFFFAOYSA-N
Molecular Weight 254.282 g/mol
SMILES OC(CC(c1c(c(OC)c(cc1)C)OC)(O)C)=O
SPLASH splash10-004l-3910000000-d1a479420babb278a40d
Source of Spectrum Y-17-1598-0
Wiley ID 1257497