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(6Z)-6-[4-(allyloxy)-3-methoxybenzylidene]-5-imino-2-[2-oxo-2-(1-pyrrolidinyl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID 8CNwXpHCdrV
InChI InChI=1S/C22H23N5O4S/c1-3-10-31-16-7-6-14(12-17(16)30-2)11-15-20(23)27-22(24-21(15)29)32-18(25-27)13-19(28)26-8-4-5-9-26/h3,6-7,11-12,23H,1,4-5,8-10,13H2,2H3/b15-11-,23-20?
InChIKey CFCHWVWUXLJMGY-JIXASPRGSA-N
Mol Weight 453.52 g/mol
Molecular Formula C22H23N5O4S
Exact Mass 453.147075 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 53A911OinMH
Name (6Z)-6-[4-(allyloxy)-3-methoxybenzylidene]-5-imino-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/C22H23N5O4S/c1-3-10-31-16-7-6-14(12-17(16)30-2)11-15-20(23)27-22(24-21(15)29)32-18(25-27)13-19(28)26-8-4-5-9-26/h3,6-7,11-12,23H,1,4-5,8-10,13H2,2H3/b15-11-,23-20?
InChIKey CFCHWVWUXLJMGY-JIXASPRGSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25878
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: D61701; Labnumber: CEP5-0190; SBI_ID: SBI-025882
Synonyms 6-[4-(allyloxy)-3-methoxybenzylidene]-5-imino-2-[2-oxo-2-(1-pyrrolidinyl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 318 °C