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

View entire compound with spectra: 2 NMR

methyl 2-[({[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}acetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SpectraBase Compound ID 9XiKQE9mYmF
InChI InChI=1S/C17H16F3N3O3S2/c1-8-6-11(17(18,19)20)22-16(21-8)27-7-12(24)23-14-13(15(25)26-2)9-4-3-5-10(9)28-14/h6H,3-5,7H2,1-2H3,(H,23,24)
InChIKey UECZUAJHZBYSHK-UHFFFAOYSA-N
Mol Weight 431.45 g/mol
Molecular Formula C17H16F3N3O3S2
Exact Mass 431.058518 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID H2UG82EraAl
Name methyl 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/C17H16F3N3O3S2/c1-8-6-11(17(18,19)20)22-16(21-8)27-7-12(24)23-14-13(15(25)26-2)9-4-3-5-10(9)28-14/h6H,3-5,7H2,1-2H3,(H,23,24)
InChIKey UECZUAJHZBYSHK-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7529_719
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: NMR/9213112; Labnumber: PNA-NA00009
Temperature 303 °C