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2-Methyl 4-propyl 3-methyl-5-[(2-methylbenzoyl)amino]-2,4-thiophenedicarboxylate
SpectraBase Compound ID EOJVdFQvq7
InChI InChI=1S/C19H21NO5S/c1-5-10-25-18(22)14-12(3)15(19(23)24-4)26-17(14)20-16(21)13-9-7-6-8-11(13)2/h6-9H,5,10H2,1-4H3,(H,20,21)
InChIKey QDULFENEZKSLQY-UHFFFAOYSA-N
Mol Weight 375.44 g/mol
Molecular Formula C19H21NO5S
Exact Mass 375.114044 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AzYrsqGEwKF
Name 2-Methyl 4-propyl 3-methyl-5-[(2-methylbenzoyl)amino]-2,4-thiophenedicarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 375.114043949 u
Formula C19H21NO5S
InChI InChI=1S/C19H21NO5S/c1-5-10-25-18(22)14-12(3)15(19(23)24-4)26-17(14)20-16(21)13-9-7-6-8-11(13)2/h6-9H,5,10H2,1-4H3,(H,20,21)
InChIKey QDULFENEZKSLQY-UHFFFAOYSA-N
Molecular Weight 375.439 g/mol
SMILES N(C1=C(C(=C(C(=O)OC)S1)C)C(=O)OCCC)C(C=1C(C)=CC=CC1)=O