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(6Z)-6-{3-ethoxy-4-[(4-fluorobenzyl)oxy]benzylidene}-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID 7ImZV65oUzf
InChI InChI=1S/C23H21FN4O3S/c1-3-20-27-28-21(25)17(22(29)26-23(28)32-20)11-15-7-10-18(19(12-15)30-4-2)31-13-14-5-8-16(24)9-6-14/h5-12,25H,3-4,13H2,1-2H3/b17-11-,25-21?
InChIKey PNQQWBFSLHIBBZ-KUYAPCGNSA-N
Mol Weight 452.5 g/mol
Molecular Formula C23H21FN4O3S
Exact Mass 452.13184 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HfCM3T5ndmD
Name (6Z)-6-{3-ethoxy-4-[(4-fluorobenzyl)oxy]benzylidene}-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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/C23H21FN4O3S/c1-3-20-27-28-21(25)17(22(29)26-23(28)32-20)11-15-7-10-18(19(12-15)30-4-2)31-13-14-5-8-16(24)9-6-14/h5-12,25H,3-4,13H2,1-2H3/b17-11-,25-21?
InChIKey PNQQWBFSLHIBBZ-KUYAPCGNSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_2725
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: 127219; Labnumber: CEP2K-00118; VK_ID: VK-002726
Synonyms 6-{3-ethoxy-4-[(4-fluorobenzyl)oxy]benzylidene}-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 315 °C