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isopropyl 2-({[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 1cJiYHI7Uot
InChI InChI=1S/C19H21F4N3O3S/c1-9(2)29-19(28)15-10-5-3-4-6-13(10)30-18(15)24-14(27)8-26-12(17(22)23)7-11(25-26)16(20)21/h7,9,16-17H,3-6,8H2,1-2H3,(H,24,27)
InChIKey NQVOZQRYSZWRRG-UHFFFAOYSA-N
Mol Weight 447.45 g/mol
Molecular Formula C19H21F4N3O3S
Exact Mass 447.123975 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EQWcqrkx5qd
Name isopropyl 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/C19H21F4N3O3S/c1-9(2)29-19(28)15-10-5-3-4-6-13(10)30-18(15)24-14(27)8-26-12(17(22)23)7-11(25-26)16(20)21/h7,9,16-17H,3-6,8H2,1-2H3,(H,24,27)
InChIKey NQVOZQRYSZWRRG-UHFFFAOYSA-N
NMR Offset 16.0772
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_14086
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/1010745; UBI_ID: UBI-014089
Temperature 308 °C