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4-Thiazoleacetic acid, 2-[[2-(2-thienyl)acetyl]amino]-, ethyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4-Thiazoleacetic acid, 2-[[2-(2-thienyl)acetyl]amino]-, ethyl ester
SpectraBase Compound ID H0nLnAohnX0
InChI InChI=1S/C13H14N2O3S2/c1-2-18-12(17)6-9-8-20-13(14-9)15-11(16)7-10-4-3-5-19-10/h3-5,8H,2,6-7H2,1H3,(H,14,15,16)
InChIKey RYBMRPOBGISAQR-UHFFFAOYSA-N
Mol Weight 310.39 g/mol
Molecular Formula C13H14N2O3S2
Exact Mass 310.044585 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D8MvfPUZ4FP
Name 4-Thiazoleacetic acid, 2-[[2-(2-thienyl)acetyl]amino]-, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 310.044584664 u
Formula C13H14N2O3S2
InChI InChI=1S/C13H14N2O3S2/c1-2-18-12(17)6-9-8-20-13(14-9)15-11(16)7-10-4-3-5-19-10/h3-5,8H,2,6-7H2,1H3,(H,14,15,16)
InChIKey RYBMRPOBGISAQR-UHFFFAOYSA-N
Molecular Weight 310.386 g/mol
SMILES C1(=NC(CC(OCC)=O)=CS1)NC(CC1=CC=CS1)=O