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4-keto-3-m-anisyl-4-methoxy-butyric acid
SpectraBase Compound ID D2dApJpDstz
InChI InChI=1S/C13H16O5/c1-17-11-5-3-4-9(7-11)6-10(8-12(14)15)13(16)18-2/h3-5,7,10H,6,8H2,1-2H3,(H,14,15)
InChIKey MPOWGDQKFKZHBD-UHFFFAOYSA-N
Mol Weight 252.27 g/mol
Molecular Formula C13H16O5
Exact Mass 252.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3KNsKHQfKa3
Name 4-keto-3-m-anisyl-4-methoxy-butyric acid
Alternate Name(s) 4-Methoxy-3-[(3-methoxyphenyl)methyl]-4-oxidanylidene-butanoic acid 4-Methoxy-3-[(3-methoxyphenyl)methyl]-4-oxo-butanoic acid
CAS Registry Number 126784-24-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O5
InChI InChI=1S/C13H16O5/c1-17-11-5-3-4-9(7-11)6-10(8-12(14)15)13(16)18-2/h3-5,7,10H,6,8H2,1-2H3,(H,14,15)
InChIKey MPOWGDQKFKZHBD-UHFFFAOYSA-N
Molecular Weight 252.266 g/mol
SMILES OC(CC(C(=O)OC)Cc1cc(OC)ccc1)=O
SPLASH splash10-0006-1910000000-c8729717fa9e018370bc
Source of Spectrum F-45-5055-2
Wiley ID 1255353