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ethyl 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amino]-3,3,3-trifluoro-2-[(3-fluorobenzoyl)amino]propanoate
SpectraBase Compound ID 7BTvxUxLxOm
InChI InChI=1S/C21H19F4N3O3S/c1-2-31-19(30)20(21(23,24)25,27-17(29)12-6-5-7-13(22)10-12)28-18-15(11-26)14-8-3-4-9-16(14)32-18/h5-7,10,28H,2-4,8-9H2,1H3,(H,27,29)
InChIKey CAJBGHRWRGIEOI-UHFFFAOYSA-N
Mol Weight 469.45 g/mol
Molecular Formula C21H19F4N3O3S
Exact Mass 469.108325 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2OkVTOj2VQr
Name ethyl 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amino]-3,3,3-trifluoro-2-[(3-fluorobenzoyl)amino]propanoate
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/C21H19F4N3O3S/c1-2-31-19(30)20(21(23,24)25,27-17(29)12-6-5-7-13(22)10-12)28-18-15(11-26)14-8-3-4-9-16(14)32-18/h5-7,10,28H,2-4,8-9H2,1H3,(H,27,29)
InChIKey CAJBGHRWRGIEOI-UHFFFAOYSA-N
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_2855
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: NMR/9254023; Labnumber: AU-0000948