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ethyl 2-({3-[(2,2,2-trifluoroethoxy)methyl]benzoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID AHJ4Pkin7pt
InChI InChI=1S/C21H22F3NO4S/c1-2-29-20(27)17-15-8-3-4-9-16(15)30-19(17)25-18(26)14-7-5-6-13(10-14)11-28-12-21(22,23)24/h5-7,10H,2-4,8-9,11-12H2,1H3,(H,25,26)
InChIKey VVKIAQNVBPWOMT-UHFFFAOYSA-N
Mol Weight 441.47 g/mol
Molecular Formula C21H22F3NO4S
Exact Mass 441.122164 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BvVzT9ZzDyj
Name ethyl 2-({3-[(2,2,2-trifluoroethoxy)methyl]benzoyl}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/C21H22F3NO4S/c1-2-29-20(27)17-15-8-3-4-9-16(15)30-19(17)25-18(26)14-7-5-6-13(10-14)11-28-12-21(22,23)24/h5-7,10H,2-4,8-9,11-12H2,1H3,(H,25,26)
InChIKey VVKIAQNVBPWOMT-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_12450
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/9122025; UBI_ID: UBI-012453
Temperature 308 °C