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5-(4-Tert-butylbenzoylamino)-3-methylthiophene-2,4-dicarboxylic acid, dimethyl ester

View entire compound with spectra: 1 NMR

5-(4-Tert-butylbenzoylamino)-3-methylthiophene-2,4-dicarboxylic acid, dimethyl ester
SpectraBase Compound ID 39pWWKaeV5l
InChI InChI=1S/C20H23NO5S/c1-11-14(18(23)25-5)17(27-15(11)19(24)26-6)21-16(22)12-7-9-13(10-8-12)20(2,3)4/h7-10H,1-6H3,(H,21,22)
InChIKey LYCHAJAYHMNJGK-UHFFFAOYSA-N
Mol Weight 389.47 g/mol
Molecular Formula C20H23NO5S
Exact Mass 389.129694 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AV6DRRog5Z6
Name 5-(4-Tert-butylbenzoylamino)-3-methylthiophene-2,4-dicarboxylic acid, dimethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 389.129694014 u
Formula C20H23NO5S
InChI InChI=1S/C20H23NO5S/c1-11-14(18(23)25-5)17(27-15(11)19(24)26-6)21-16(22)12-7-9-13(10-8-12)20(2,3)4/h7-10H,1-6H3,(H,21,22)
InChIKey LYCHAJAYHMNJGK-UHFFFAOYSA-N
Molecular Weight 389.466 g/mol
SMILES C1(=C(C(C(OC)=O)=C(S1)NC(C1=CC=C(C=C1)C(C)(C)C)=O)C)C(OC)=O