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ethyl 2-[({[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}acetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

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ethyl 2-[({[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}acetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SpectraBase Compound ID CEYujTtyNhf
InChI InChI=1S/C18H18F3N3O3S2/c1-3-27-16(26)14-10-5-4-6-11(10)29-15(14)24-13(25)8-28-17-22-9(2)7-12(23-17)18(19,20)21/h7H,3-6,8H2,1-2H3,(H,24,25)
InChIKey YVMXKZPNNRBGJR-UHFFFAOYSA-N
Mol Weight 445.48 g/mol
Molecular Formula C18H18F3N3O3S2
Exact Mass 445.074168 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DYtIFk4L6oi
Name ethyl 2-[({[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}acetyl)amino]-5,6-dihydro-4H-cyclopenta[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/C18H18F3N3O3S2/c1-3-27-16(26)14-10-5-4-6-11(10)29-15(14)24-13(25)8-28-17-22-9(2)7-12(23-17)18(19,20)21/h7H,3-6,8H2,1-2H3,(H,24,25)
InChIKey YVMXKZPNNRBGJR-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_9093
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/9039210; UBI_ID: UBI-009096
Temperature 318 °C