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ethyl 2-({[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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ethyl 2-({[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID EV6Wm9hEUka
InChI InChI=1S/C18H19ClF3N3O3S/c1-3-28-17(27)13-10-6-4-5-7-11(10)29-16(13)23-12(26)8-25-9(2)14(19)15(24-25)18(20,21)22/h3-8H2,1-2H3,(H,23,26)
InChIKey KVOFFYPBKPSHIR-UHFFFAOYSA-N
Mol Weight 449.88 g/mol
Molecular Formula C18H19ClF3N3O3S
Exact Mass 449.078775 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 80siaMMlkWK
Name ethyl 2-({[4-chloro-5-methyl-3-(trifluoromethyl)-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/C18H19ClF3N3O3S/c1-3-28-17(27)13-10-6-4-5-7-11(10)29-16(13)23-12(26)8-25-9(2)14(19)15(24-25)18(20,21)22/h3-8H2,1-2H3,(H,23,26)
InChIKey KVOFFYPBKPSHIR-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3802
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: 9099836; UBI_ID: UBI-003803
Temperature 313 °C