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2-[(2-Furylmethyl)amino]-2-oxoethyl 3-chloro-1-benzothiophene-2-carboxylate

View entire compound with spectra: 2 NMR

2-[(2-Furylmethyl)amino]-2-oxoethyl 3-chloro-1-benzothiophene-2-carboxylate
SpectraBase Compound ID 3ILza290wmp
InChI InChI=1S/C16H12ClNO4S/c17-14-11-5-1-2-6-12(11)23-15(14)16(20)22-9-13(19)18-8-10-4-3-7-21-10/h1-7H,8-9H2,(H,18,19)
InChIKey YMFLQYZVXHQSPX-UHFFFAOYSA-N
Mol Weight 349.79 g/mol
Molecular Formula C16H12ClNO4S
Exact Mass 349.017557 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DxgvsHwgC92
Name 2-[(2-Furylmethyl)amino]-2-oxoethyl 3-chloro-1-benzothiophene-2-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 349.017556740 u
Formula C16H12ClNO4S
InChI InChI=1S/C16H12ClNO4S/c17-14-11-5-1-2-6-12(11)23-15(14)16(20)22-9-13(19)18-8-10-4-3-7-21-10/h1-7H,8-9H2,(H,18,19)
InChIKey YMFLQYZVXHQSPX-UHFFFAOYSA-N
Molecular Weight 349.788 g/mol
SMILES N(C(COC(C=1SC=2C=CC=CC2C1Cl)=O)=O)CC=1OC=CC1