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3-[4-oxo-9-(2-thienyl)-7-(trifluoromethyl)-1,2,3,4-tetrahydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl]phenyl benzoate

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3-[4-oxo-9-(2-thienyl)-7-(trifluoromethyl)-1,2,3,4-tetrahydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl]phenyl benzoate
SpectraBase Compound ID JzHkgpMHVdn
InChI InChI=1S/C27H16F3N3O3S2/c28-27(29,30)19-13-17(18-10-5-11-37-18)20-21-22(38-25(20)31-19)24(34)33-23(32-21)15-8-4-9-16(12-15)36-26(35)14-6-2-1-3-7-14/h1-13,23,32H,(H,33,34)
InChIKey GFAAJMFZJKCTSA-UHFFFAOYSA-N
Mol Weight 551.56 g/mol
Molecular Formula C27H16F3N3O3S2
Exact Mass 551.058518 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1rpSdur969A
Name 3-[4-oxo-9-(2-thienyl)-7-(trifluoromethyl)-1,2,3,4-tetrahydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl]phenyl benzoate
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/C27H16F3N3O3S2/c28-27(29,30)19-13-17(18-10-5-11-37-18)20-21-22(38-25(20)31-19)24(34)33-23(32-21)15-8-4-9-16(12-15)36-26(35)14-6-2-1-3-7-14/h1-13,23,32H,(H,33,34)
InChIKey GFAAJMFZJKCTSA-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6797
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/1266941; Labnumber: COL3462; UZI_ID: UZI-006799
Temperature 318 °C