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2-[(4-{[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}butanoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide

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2-[(4-{[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}butanoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
SpectraBase Compound ID d3kJslzPA2
InChI InChI=1S/C21H25F3N4O2S2/c1-12-11-15(21(22,23)24)27-20(26-12)31-10-6-9-16(29)28-19-17(18(25)30)13-7-4-2-3-5-8-14(13)32-19/h11H,2-10H2,1H3,(H2,25,30)(H,28,29)
InChIKey RELKXWNFMPUWPI-UHFFFAOYSA-N
Mol Weight 486.57 g/mol
Molecular Formula C21H25F3N4O2S2
Exact Mass 486.137103 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 16pOBTbwkTO
Name 2-[(4-{[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}butanoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
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/C21H25F3N4O2S2/c1-12-11-15(21(22,23)24)27-20(26-12)31-10-6-9-16(29)28-19-17(18(25)30)13-7-4-2-3-5-8-14(13)32-19/h11H,2-10H2,1H3,(H2,25,30)(H,28,29)
InChIKey RELKXWNFMPUWPI-UHFFFAOYSA-N
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_1080
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/9243315; Labnumber: PNA-NA00218
Temperature 297 °C