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(6E)-6-{4-[2-(2-chlorophenoxy)ethoxy]benzylidene}-2-(1-ethylpropyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID 9mgEFiFWp3t
InChI InChI=1S/C25H25ClN4O3S/c1-3-17(4-2)24-29-30-22(27)19(23(31)28-25(30)34-24)15-16-9-11-18(12-10-16)32-13-14-33-21-8-6-5-7-20(21)26/h5-12,15,17,27H,3-4,13-14H2,1-2H3/b19-15+,27-22?
InChIKey YXQQZFWBAHNKJJ-QMQNJQOTSA-N
Mol Weight 497.01 g/mol
Molecular Formula C25H25ClN4O3S
Exact Mass 496.13359 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FLKdKTa0hDg
Name (6E)-6-{4-[2-(2-chlorophenoxy)ethoxy]benzylidene}-2-(1-ethylpropyl)-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/C25H25ClN4O3S/c1-3-17(4-2)24-29-30-22(27)19(23(31)28-25(30)34-24)15-16-9-11-18(12-10-16)32-13-14-33-21-8-6-5-7-20(21)26/h5-12,15,17,27H,3-4,13-14H2,1-2H3/b19-15+,27-22?
InChIKey YXQQZFWBAHNKJJ-QMQNJQOTSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25869
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: D61689; Labnumber: CEP4-3733; SBI_ID: SBI-025873
Synonyms 6-{4-[2-(2-chlorophenoxy)ethoxy]benzylidene}-2-(1-ethylpropyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 318 °C