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2-[3-[(E)-3-keto-3-methoxy-prop-1-enyl]phenyl]acetic acid
SpectraBase Compound ID BPHsEdYG13N
InChI InChI=1S/C12H12O4/c1-16-12(15)6-5-9-3-2-4-10(7-9)8-11(13)14/h2-7H,8H2,1H3,(H,13,14)/b6-5+
InChIKey ASKQHKWLWIRJFV-AATRIKPKSA-N
Mol Weight 220.22 g/mol
Molecular Formula C12H12O4
Exact Mass 220.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bf4B8aSiFa1
Name 2-[3-[(E)-3-keto-3-methoxy-prop-1-enyl]phenyl]acetic acid
Comments Less than 3 mono-isotopic peaks
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Formula C12H12O4
InChI InChI=1S/C12H12O4/c1-16-12(15)6-5-9-3-2-4-10(7-9)8-11(13)14/h2-7H,8H2,1H3,(H,13,14)/b6-5+
InChIKey ASKQHKWLWIRJFV-AATRIKPKSA-N
Molecular Weight 220.224 g/mol
SMILES OC(Cc1cc(ccc1)\C=C\C(=O)OC)=O
SPLASH splash10-0006-0930000000-65f6f5ba40fbd9c201d8
Source of Spectrum H1-37-1870-10
Synonyms 2-[3-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]phenyl]ethanoic acid 2-[3-[(E)-3-methoxy-3-oxo-prop-1-enyl]phenyl]acetic acid
Wiley ID 755905