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ethyl 2-({[3-amino-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridin-2-yl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

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ethyl 2-({[3-amino-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridin-2-yl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID JiufIzWKODg
InChI InChI=1S/C22H23F2N3O3S2/c1-3-30-22(29)15-11-7-5-4-6-8-13(11)31-21(15)27-19(28)17-16(25)14-10(2)9-12(18(23)24)26-20(14)32-17/h9,18H,3-8,25H2,1-2H3,(H,27,28)
InChIKey NVUIFDYIEUCDEG-UHFFFAOYSA-N
Mol Weight 479.56 g/mol
Molecular Formula C22H23F2N3O3S2
Exact Mass 479.11489 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3bY3zyVoGuW
Name ethyl 2-({[3-amino-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridin-2-yl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C22H23F2N3O3S2/c1-3-30-22(29)15-11-7-5-4-6-8-13(11)31-21(15)27-19(28)17-16(25)14-10(2)9-12(18(23)24)26-20(14)32-17/h9,18H,3-8,25H2,1-2H3,(H,27,28)
InChIKey NVUIFDYIEUCDEG-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_18667
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/9126667; UBI_ID: UBI-018670
Temperature 318 °C