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N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide

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N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
SpectraBase Compound ID 5hkMs1h2JuB
InChI InChI=1S/C19H15ClF3N3O2S2/c20-11-6-5-9(19(21,22)23)7-12(11)24-14(27)8-29-18-25-16(28)15-10-3-1-2-4-13(10)30-17(15)26-18/h5-7H,1-4,8H2,(H,24,27)(H,25,26,28)
InChIKey UKCSEZKSCBFWER-UHFFFAOYSA-N
Mol Weight 473.92 g/mol
Molecular Formula C19H15ClF3N3O2S2
Exact Mass 473.024631 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CuDT5H7Xmjd
Name N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]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/C19H15ClF3N3O2S2/c20-11-6-5-9(19(21,22)23)7-12(11)24-14(27)8-29-18-25-16(28)15-10-3-1-2-4-13(10)30-17(15)26-18/h5-7H,1-4,8H2,(H,24,27)(H,25,26,28)
InChIKey UKCSEZKSCBFWER-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6802
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/1269402; Labnumber: COL3496; UZI_ID: UZI-006804
Temperature 318 °C