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2-Thiophenecarboxylic acid, 3-[[2-[[2-(4-hydroxyphenyl)ethyl]amino]-1,2-dioxoethyl]amino]-, methyl ester

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2-Thiophenecarboxylic acid, 3-[[2-[[2-(4-hydroxyphenyl)ethyl]amino]-1,2-dioxoethyl]amino]-, methyl ester
SpectraBase Compound ID Kk0v7ZzDlCq
InChI InChI=1S/C16H16N2O5S/c1-23-16(22)13-12(7-9-24-13)18-15(21)14(20)17-8-6-10-2-4-11(19)5-3-10/h2-5,7,9,19H,6,8H2,1H3,(H,17,20)(H,18,21)
InChIKey ZWPBKUWLWMYWHF-UHFFFAOYSA-N
Mol Weight 348.37 g/mol
Molecular Formula C16H16N2O5S
Exact Mass 348.077993 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F8jt31ck7Uk
Name 2-Thiophenecarboxylic acid, 3-[[2-[[2-(4-hydroxyphenyl)ethyl]amino]-1,2-dioxoethyl]amino]-, methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 348.077992792 u
Formula C16H16N2O5S
InChI InChI=1S/C16H16N2O5S/c1-23-16(22)13-12(7-9-24-13)18-15(21)14(20)17-8-6-10-2-4-11(19)5-3-10/h2-5,7,9,19H,6,8H2,1H3,(H,17,20)(H,18,21)
InChIKey ZWPBKUWLWMYWHF-UHFFFAOYSA-N
Molecular Weight 348.373 g/mol
SMILES N(C(C(=O)NCCC1=CC=C(C=C1)O)=O)C1=C(C(=O)OC)SC=C1