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3-(3-Methoxy-5-isoxazolyl)propanoic acid
SpectraBase Compound ID 6FpyrPKk7Kb
InChI InChI=1S/C7H9NO4/c1-11-6-4-5(12-8-6)2-3-7(9)10/h4H,2-3H2,1H3,(H,9,10)
InChIKey XWBIAAGRBWFOCT-UHFFFAOYSA-N
Mol Weight 171.15 g/mol
Molecular Formula C7H9NO4
Exact Mass 171.053158 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BYXSndYrTVg
Name 3-(3-Methoxy-5-isoxazolyl)propanoic acid
Alternate Name(s) 3-(3-Methoxy-1,2-oxazol-5-yl)propanoic acid 3-(3-Methoxyisoxazol-5-yl)propanoic acid 3-(3-Methoxyisoxazol-5-yl)propionic acid 5-Isoxazolepropanoic acid, 3-methoxy-
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Formula C7H9NO4
InChI InChI=1S/C7H9NO4/c1-11-6-4-5(12-8-6)2-3-7(9)10/h4H,2-3H2,1H3,(H,9,10)
InChIKey XWBIAAGRBWFOCT-UHFFFAOYSA-N
Molecular Weight 171.152 g/mol
SMILES OC(CCc1onc(c1)OC)=O
SPLASH splash10-056u-9400000000-18339036f04d186396d7
Wiley ID 1449625