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2-methoxyethyl 2-{[2-(4-fluorophenoxy)propanoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 4i8R7EVtKd3
InChI InChI=1S/C21H24FNO5S/c1-13(28-15-9-7-14(22)8-10-15)19(24)23-20-18(21(25)27-12-11-26-2)16-5-3-4-6-17(16)29-20/h7-10,13H,3-6,11-12H2,1-2H3,(H,23,24)
InChIKey IJOIIEFBUVMNPW-UHFFFAOYSA-N
Mol Weight 421.48 g/mol
Molecular Formula C21H24FNO5S
Exact Mass 421.135922 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LmUha97MCf
Name 2-methoxyethyl 2-{[2-(4-fluorophenoxy)propanoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C21H24FNO5S/c1-13(28-15-9-7-14(22)8-10-15)19(24)23-20-18(21(25)27-12-11-26-2)16-5-3-4-6-17(16)29-20/h7-10,13H,3-6,11-12H2,1-2H3,(H,23,24)
InChIKey IJOIIEFBUVMNPW-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_4637
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: UZI/8122246; UBI_ID: UBI-004638
Temperature 313 °C