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Benzoic acid, 4-(5-isoxazolylmethoxy)-, methyl ester
SpectraBase Compound ID LX3GU5S199V
InChI InChI=1S/C12H11NO4/c1-15-12(14)9-2-4-10(5-3-9)16-8-11-6-7-13-17-11/h2-7H,8H2,1H3
InChIKey SQGSBLYYIHZFGH-UHFFFAOYSA-N
Mol Weight 233.22 g/mol
Molecular Formula C12H11NO4
Exact Mass 233.068808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1DI7rjI8Qq
Name Benzoic acid, 4-(5-isoxazolylmethoxy)-, methyl ester
Alternate Name(s) 4-(5-isoxazolylmethoxy)benzoic acid methyl ester Methyl 4-(isoxazol-5-ylmethoxy)benzoate Methyl 4-(1,2-oxazol-5-ylmethoxy)benzoate
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Formula C12H11NO4
InChI InChI=1S/C12H11NO4/c1-15-12(14)9-2-4-10(5-3-9)16-8-11-6-7-13-17-11/h2-7H,8H2,1H3
InChIKey SQGSBLYYIHZFGH-UHFFFAOYSA-N
Molecular Weight 233.223 g/mol
SMILES COC(=O)c1ccc(cc1)OCc1oncc1
SPLASH splash10-0f89-9750000000-5c2f26ebaccb5915b81e
Source of Spectrum IY-1-4416-3
Wiley ID 1652146