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3-Isoxazolecarboxylic acid, 5-[[[2-(2-thienyl)ethyl]amino]methyl]-, ethyl ester
SpectraBase Compound ID Aq3d8wbL0wl
InChI InChI=1S/C13H16N2O3S/c1-2-17-13(16)12-8-10(18-15-12)9-14-6-5-11-4-3-7-19-11/h3-4,7-8,14H,2,5-6,9H2,1H3
InChIKey YLMUJAPRZDKHBF-UHFFFAOYSA-N
Mol Weight 280.34 g/mol
Molecular Formula C13H16N2O3S
Exact Mass 280.088164 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7S2D3diTJkX
Name 3-Isoxazolecarboxylic acid, 5-[[[2-(2-thienyl)ethyl]amino]methyl]-, ethyl ester
Alternate Name(s) Ethyl 5-({[2-(thiophen-2-yl)ethyl]amino}methyl)-1,2-oxazole-3-carboxylate 5-[(2-thiophen-2-ylethylamino)methyl]-3-isoxazolecarboxylic acid ethyl ester Ethyl 5-[[2-(2-thienyl)ethylamino]methyl]isoxazole-3-carboxylate Ethyl 5-[(2-thiophen-2-ylethylamino)methyl]-1,2-oxazole-3-carboxylate
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Formula C13H16N2O3S
InChI InChI=1S/C13H16N2O3S/c1-2-17-13(16)12-8-10(18-15-12)9-14-6-5-11-4-3-7-19-11/h3-4,7-8,14H,2,5-6,9H2,1H3
InChIKey YLMUJAPRZDKHBF-UHFFFAOYSA-N
Molecular Weight 280.342 g/mol
SMILES N(Cc1cc(no1)C(=O)OCC)CCc1sccc1
SPLASH splash10-001i-7900000000-8d25edfb88fdcd41fb0c
Source of Spectrum IY-2-4920-7
Wiley ID 1657190