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[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 4-benzhydryl-1-piperazinecarbodithioate

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[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 4-benzhydryl-1-piperazinecarbodithioate
SpectraBase Compound ID C8xFhmyiwhS
InChI InChI=1S/C28H28FN7S2/c29-22-11-13-23(14-12-22)31-27-33-24(32-26(30)34-27)19-38-28(37)36-17-15-35(16-18-36)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,25H,15-19H2,(H3,30,31,32,33,34)
InChIKey QARMQFGNORHAHV-UHFFFAOYSA-N
Mol Weight 545.7 g/mol
Molecular Formula C28H28FN7S2
Exact Mass 545.183164 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HBmTTzslnZ3
Name [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 4-benzhydryl-1-piperazinecarbodithioate
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/C28H28FN7S2/c29-22-11-13-23(14-12-22)31-27-33-24(32-26(30)34-27)19-38-28(37)36-17-15-35(16-18-36)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,25H,15-19H2,(H3,30,31,32,33,34)
InChIKey QARMQFGNORHAHV-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17446
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: D27235; Labnumber: VGU-18414; SBI_ID: SBI-017449
Temperature 315 °C