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3-Acetyl-5-isoxazolecarboxylic acid methyl ester
SpectraBase Compound ID HQU5Oeq4tXv
InChI InChI=1S/C7H7NO4/c1-4(9)5-3-6(12-8-5)7(10)11-2/h3H,1-2H3
InChIKey UJHMNWHOSURUON-UHFFFAOYSA-N
Mol Weight 169.14 g/mol
Molecular Formula C7H7NO4
Exact Mass 169.037508 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LryguGHM5Jc
Name 3-Acetyl-5-isoxazolecarboxylic acid methyl ester
Alternate Name(s) 3-Acetylisoxazole-5-carboxylic acid methyl ester Methyl 3-acetyl-1,2-oxazole-5-carboxylate Methyl 3-acetylisoxazole-5-carboxylate Methyl 3-ethanoyl-1,2-oxazole-5-carboxylate
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Formula C7H7NO4
InChI InChI=1S/C7H7NO4/c1-4(9)5-3-6(12-8-5)7(10)11-2/h3H,1-2H3
InChIKey UJHMNWHOSURUON-UHFFFAOYSA-N
Molecular Weight 169.136 g/mol
SMILES c1(noc(c1)C(=O)OC)C(=O)C
SPLASH splash10-0udi-0900000000-645ec32cbb86d46e90bc
Source of Spectrum K-2001-1172-18
Wiley ID 1578963