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9-(difluoromethyl)-7-methyl-2-[1-(phenylsulfonyl)-4-piperidinyl]pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine

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9-(difluoromethyl)-7-methyl-2-[1-(phenylsulfonyl)-4-piperidinyl]pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
SpectraBase Compound ID 5PwPoLgz0Gz
InChI InChI=1S/C23H20F2N6O2S2/c1-13-11-16(20(24)25)27-23-17(13)18-19(34-23)22-28-21(29-31(22)12-26-18)14-7-9-30(10-8-14)35(32,33)15-5-3-2-4-6-15/h2-6,11-12,14,20H,7-10H2,1H3
InChIKey QNKVKBJPEQIVRD-UHFFFAOYSA-N
Mol Weight 514.57 g/mol
Molecular Formula C23H20F2N6O2S2
Exact Mass 514.105723 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 36BMrvqACit
Name 9-(difluoromethyl)-7-methyl-2-[1-(phenylsulfonyl)-4-piperidinyl]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/C23H20F2N6O2S2/c1-13-11-16(20(24)25)27-23-17(13)18-19(34-23)22-28-21(29-31(22)12-26-18)14-7-9-30(10-8-14)35(32,33)15-5-3-2-4-6-15/h2-6,11-12,14,20H,7-10H2,1H3
InChIKey QNKVKBJPEQIVRD-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_33210
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: 1912211; SBI_ID: SBI-033214
Temperature 306 °C