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1-benzyl-7-(2-thienyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
SpectraBase Compound ID LRX4sxejARE
InChI InChI=1S/C19H12F6N4O2S/c20-18(21,22)17(19(23,24)25)12-14(26-13(28-17)11-7-4-8-32-11)29(16(31)27-15(12)30)9-10-5-2-1-3-6-10/h1-8H,9H2,(H,26,28)(H,27,30,31)
InChIKey HOCOKOKYRFWIAT-UHFFFAOYSA-N
Mol Weight 474.38 g/mol
Molecular Formula C19H12F6N4O2S
Exact Mass 474.058516 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KbTegMcyO4M
Name 1-benzyl-7-(2-thienyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
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/C19H12F6N4O2S/c20-18(21,22)17(19(23,24)25)12-14(26-13(28-17)11-7-4-8-32-11)29(16(31)27-15(12)30)9-10-5-2-1-3-6-10/h1-8H,9H2,(H,26,28)(H,27,30,31)
InChIKey HOCOKOKYRFWIAT-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20337
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: D16547; Labnumber: SOK-1478; SBI_ID: SBI-020341
Temperature 318 °C