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2-{[3-(4-ethoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
SpectraBase Compound ID 9p2bep8tOpE
InChI InChI=1S/C27H24F3N3O3S2/c1-2-36-17-13-11-16(12-14-17)33-25(35)23-18-7-3-6-10-21(18)38-24(23)32-26(33)37-15-22(34)31-20-9-5-4-8-19(20)27(28,29)30/h4-5,8-9,11-14H,2-3,6-7,10,15H2,1H3,(H,31,34)
InChIKey IXYLTLQXYQXYQJ-UHFFFAOYSA-N
Mol Weight 559.62 g/mol
Molecular Formula C27H24F3N3O3S2
Exact Mass 559.121118 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 62L37b5eKib
Name 2-{[3-(4-ethoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
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/C27H24F3N3O3S2/c1-2-36-17-13-11-16(12-14-17)33-25(35)23-18-7-3-6-10-21(18)38-24(23)32-26(33)37-15-22(34)31-20-9-5-4-8-19(20)27(28,29)30/h4-5,8-9,11-14H,2-3,6-7,10,15H2,1H3,(H,31,34)
InChIKey IXYLTLQXYQXYQJ-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17350
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: D25620; Labnumber: GRES-04710; SBI_ID: SBI-017353
Temperature 306 °C