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5-Ethyl-2-[(3,4,5-trimethoxybenzoyl)amino]-3-thiophenecarboxylic acid

View entire compound with spectra: 2 NMR

5-Ethyl-2-[(3,4,5-trimethoxybenzoyl)amino]-3-thiophenecarboxylic acid
SpectraBase Compound ID 7ERnBuf5Dll
InChI InChI=1S/C17H19NO6S/c1-5-10-8-11(17(20)21)16(25-10)18-15(19)9-6-12(22-2)14(24-4)13(7-9)23-3/h6-8H,5H2,1-4H3,(H,18,19)(H,20,21)
InChIKey JNFAYUSWFNGZDK-UHFFFAOYSA-N
Mol Weight 365.4 g/mol
Molecular Formula C17H19NO6S
Exact Mass 365.093309 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3pdS7JwcSaX
Name 5-Ethyl-2-[(3,4,5-trimethoxybenzoyl)amino]-3-thiophenecarboxylic acid
Comments Computed using HOSE algorithm
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Exact Mass 365.093308504 u
Formula C17H19NO6S
InChI InChI=1S/C17H19NO6S/c1-5-10-8-11(17(20)21)16(25-10)18-15(19)9-6-12(22-2)14(24-4)13(7-9)23-3/h6-8H,5H2,1-4H3,(H,18,19)(H,20,21)
InChIKey JNFAYUSWFNGZDK-UHFFFAOYSA-N
Molecular Weight 365.400 g/mol
SMILES OC(C1=C(SC(=C1)CC)NC(C1=CC(OC)=C(C(=C1)OC)OC)=O)=O