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acetamide, N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[3,4,5,6,7,8-hexahydro-4-oxo-3-(2-propenyl)benzo[4,5]thieno[2,3-d]pyrimidin-2-yl]thio]-
SpectraBase Compound ID 2A7ZWfzhIhX
InChI InChI=1S/C22H19ClF3N3O2S2/c1-2-9-29-20(31)18-13-5-3-4-6-16(13)33-19(18)28-21(29)32-11-17(30)27-12-7-8-15(23)14(10-12)22(24,25)26/h2,7-8,10H,1,3-6,9,11H2,(H,27,30)
InChIKey NXAGSIOHXVRSIR-UHFFFAOYSA-N
Mol Weight 513.98 g/mol
Molecular Formula C22H19ClF3N3O2S2
Exact Mass 513.055931 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2djkbJBxFvs
Name acetamide, N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[3,4,5,6,7,8-hexahydro-4-oxo-3-(2-propenyl)benzo[4,5]thieno[2,3-d]pyrimidin-2-yl]thio]-
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/C22H19ClF3N3O2S2/c1-2-9-29-20(31)18-13-5-3-4-6-16(13)33-19(18)28-21(29)32-11-17(30)27-12-7-8-15(23)14(10-12)22(24,25)26/h2,7-8,10H,1,3-6,9,11H2,(H,27,30)
InChIKey NXAGSIOHXVRSIR-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_956
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/11228666