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(6Z)-5-imino-6-{4-[(2-nitrobenzyl)oxy]benzylidene}-2-[2-oxo-2-(1-pyrrolidinyl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID 77dj4FxKRQw
InChI InChI=1S/C25H22N6O5S/c26-23-19(24(33)27-25-30(23)28-21(37-25)14-22(32)29-11-3-4-12-29)13-16-7-9-18(10-8-16)36-15-17-5-1-2-6-20(17)31(34)35/h1-2,5-10,13,26H,3-4,11-12,14-15H2/b19-13-,26-23?
InChIKey AGFNGQDUTBDJSS-YJFMCDHMSA-N
Mol Weight 518.55 g/mol
Molecular Formula C25H22N6O5S
Exact Mass 518.137239 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EB8JFcXlNh0
Name (6Z)-5-imino-6-{4-[(2-nitrobenzyl)oxy]benzylidene}-2-[2-oxo-2-(1-pyrrolidinyl)ethyl]-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/C25H22N6O5S/c26-23-19(24(33)27-25-30(23)28-21(37-25)14-22(32)29-11-3-4-12-29)13-16-7-9-18(10-8-16)36-15-17-5-1-2-6-20(17)31(34)35/h1-2,5-10,13,26H,3-4,11-12,14-15H2/b19-13-,26-23?
InChIKey AGFNGQDUTBDJSS-YJFMCDHMSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25883
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: D61707; Labnumber: CEP5-0659; SBI_ID: SBI-025887
Synonyms 5-imino-6-{4-[(2-nitrobenzyl)oxy]benzylidene}-2-[2-oxo-2-(1-pyrrolidinyl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 318 °C