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3-(3-isopropoxy-4-methoxy-phenyl)-2-keto-propionic acid
SpectraBase Compound ID GBQSq0hv4gq
InChI InChI=1S/C13H16O5/c1-8(2)18-12-7-9(4-5-11(12)17-3)6-10(14)13(15)16/h4-5,7-8H,6H2,1-3H3,(H,15,16)
InChIKey OWTWNOPJJWIHAP-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 4BHRosCkJ0g
Name 3-(3-isopropoxy-4-methoxy-phenyl)-2-keto-propionic acid
Alternate Name(s) 3-(3-isopropoxy-4-methoxy-phenyl)-2-oxo-propanoic acid 3-(4-Methoxy-3-propan-2-yloxy-phenyl)-2-oxidanylidene-propanoic acid 3-(4-Methoxy-3-propan-2-yloxyphenyl)-2-oxopropanoic acid
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Formula C13H16O5
InChI InChI=1S/C13H16O5/c1-8(2)18-12-7-9(4-5-11(12)17-3)6-10(14)13(15)16/h4-5,7-8H,6H2,1-3H3,(H,15,16)
InChIKey OWTWNOPJJWIHAP-UHFFFAOYSA-N
Molecular Weight 252.266 g/mol
SMILES OC(C(=O)Cc1cc(c(cc1)OC)OC(C)C)=O
SPLASH splash10-000i-0920000000-cbf6c4a22ce52eebb207
Source of Spectrum QE-6-1149-0
Wiley ID 844706