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2-{1-[(4-chlorophenyl)sulfonyl]-4-piperidinyl}-7-methyl-9-(trifluoromethyl)pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
SpectraBase Compound ID 9ErbjhIFXRa
InChI InChI=1S/C23H18ClF3N6O2S2/c1-12-10-16(23(25,26)27)29-22-17(12)18-19(36-22)21-30-20(31-33(21)11-28-18)13-6-8-32(9-7-13)37(34,35)15-4-2-14(24)3-5-15/h2-5,10-11,13H,6-9H2,1H3
InChIKey IPEGJUOKHGKRKS-UHFFFAOYSA-N
Mol Weight 567.01 g/mol
Molecular Formula C23H18ClF3N6O2S2
Exact Mass 566.057328 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EVl4Jb9GbXw
Name 2-{1-[(4-chlorophenyl)sulfonyl]-4-piperidinyl}-7-methyl-9-(trifluoromethyl)pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
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/C23H18ClF3N6O2S2/c1-12-10-16(23(25,26)27)29-22-17(12)18-19(36-22)21-30-20(31-33(21)11-28-18)13-6-8-32(9-7-13)37(34,35)15-4-2-14(24)3-5-15/h2-5,10-11,13H,6-9H2,1H3
InChIKey IPEGJUOKHGKRKS-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_32869
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: 1911674; SBI_ID: SBI-032873
Temperature 315 °C