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ethyl 2-({[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

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ethyl 2-({[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID BBXXpRwZbYM
InChI InChI=1S/C19H21F4N3O3S/c1-2-29-19(28)15-10-6-4-3-5-7-13(10)30-18(15)24-14(27)9-26-12(17(22)23)8-11(25-26)16(20)21/h8,16-17H,2-7,9H2,1H3,(H,24,27)
InChIKey MNWVKIRGLRBCSW-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 IHmqf64XluJ
Name ethyl 2-({[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-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/c1-2-29-19(28)15-10-6-4-3-5-7-13(10)30-18(15)24-14(27)9-26-12(17(22)23)8-11(25-26)16(20)21/h8,16-17H,2-7,9H2,1H3,(H,24,27)
InChIKey MNWVKIRGLRBCSW-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_13183
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/1010217; UBI_ID: UBI-013186
Temperature 308 °C