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ethyl 2-({[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID Iz8KsxLug4N
InChI InChI=1S/C18H19F4N3O3S/c1-2-28-18(27)14-9-5-3-4-6-12(9)29-17(14)23-13(26)8-25-11(16(21)22)7-10(24-25)15(19)20/h7,15-16H,2-6,8H2,1H3,(H,23,26)
InChIKey GNGJWIUHLGNSDJ-UHFFFAOYSA-N
Mol Weight 433.42 g/mol
Molecular Formula C18H19F4N3O3S
Exact Mass 433.108325 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AEADMBKM8lc
Name ethyl 2-({[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]acetyl}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/C18H19F4N3O3S/c1-2-28-18(27)14-9-5-3-4-6-12(9)29-17(14)23-13(26)8-25-11(16(21)22)7-10(24-25)15(19)20/h7,15-16H,2-6,8H2,1H3,(H,23,26)
InChIKey GNGJWIUHLGNSDJ-UHFFFAOYSA-N
NMR Offset 16.0772
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_14228
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/1011282; UBI_ID: UBI-014231
Temperature 308 °C