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2-[(p-Chlorophenacyl)thio]-4-methyl-5-thiazolecarboxylic acid, ethyl ester

View entire compound with spectra: 3 NMR, and 1 FTIR

2-[(p-Chlorophenacyl)thio]-4-methyl-5-thiazolecarboxylic acid, ethyl ester
SpectraBase Compound ID 35XVLJ1urZk
InChI InChI=1S/C15H14ClNO3S2/c1-3-20-14(19)13-9(2)17-15(22-13)21-8-12(18)10-4-6-11(16)7-5-10/h4-7H,3,8H2,1-2H3
InChIKey UUZHIGMOPWVZCD-UHFFFAOYSA-N
Mol Weight 355.85 g/mol
Molecular Formula C15H14ClNO3S2
Exact Mass 355.010363 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gwl0Fwhp5aR
Name 2-[(p-Chlorophenacyl)thio]-4-methyl-5-thiazolecarboxylic acid, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 355.010363360 u
Formula C15H14ClNO3S2
InChI InChI=1S/C15H14ClNO3S2/c1-3-20-14(19)13-9(2)17-15(22-13)21-8-12(18)10-4-6-11(16)7-5-10/h4-7H,3,8H2,1-2H3
InChIKey UUZHIGMOPWVZCD-UHFFFAOYSA-N
Molecular Weight 355.854 g/mol
SMILES C=1C(=CC=C(C1)Cl)C(CSC1=NC(=C(S1)C(OCC)=O)C)=O