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3-methyl-5-(1-methyl-2-phenyl-ethyl)isoxazole-4-carboxylic acid
SpectraBase Compound ID AKhM4JViWdw
InChI InChI=1S/C14H15NO3/c1-9(8-11-6-4-3-5-7-11)13-12(14(16)17)10(2)15-18-13/h3-7,9H,8H2,1-2H3,(H,16,17)
InChIKey CBJVNCLBIGMNCF-UHFFFAOYSA-N
Mol Weight 245.28 g/mol
Molecular Formula C14H15NO3
Exact Mass 245.105193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GIDYJ8ufxei
Name 3-methyl-5-(1-methyl-2-phenyl-ethyl)isoxazole-4-carboxylic acid
Comments Less than 3 mono-isotopic peaks
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Formula C14H15NO3
InChI InChI=1S/C14H15NO3/c1-9(8-11-6-4-3-5-7-11)13-12(14(16)17)10(2)15-18-13/h3-7,9H,8H2,1-2H3,(H,16,17)
InChIKey CBJVNCLBIGMNCF-UHFFFAOYSA-N
Molecular Weight 245.278 g/mol
SMILES OC(c1c(onc1C)C(Cc1ccccc1)C)=O
SPLASH splash10-0006-9010000000-18e569a4867040a622bf
Source of Spectrum J-57-6275-13
Synonyms 3-methyl-5-(1-phenylpropan-2-yl)-1,2-oxazole-4-carboxylic acid 3-methyl-5-(1-phenylpropan-2-yl)-4-isoxazolecarboxylic acid
Wiley ID 1248048