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(6Z)-5-imino-6-{4-[2-(3-methylphenoxy)ethoxy]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 HvAaSuZFxUQ
InChI InChI=1S/C27H27N5O4S/c1-18-5-4-6-21(15-18)36-14-13-35-20-9-7-19(8-10-20)16-22-25(28)32-27(29-26(22)34)37-23(30-32)17-24(33)31-11-2-3-12-31/h4-10,15-16,28H,2-3,11-14,17H2,1H3/b22-16-,28-25?
InChIKey LCWCIVYJVRTHPQ-KOKPDDJTSA-N
Mol Weight 517.6 g/mol
Molecular Formula C27H27N5O4S
Exact Mass 517.178376 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LUj8840EHGS
Name (6Z)-5-imino-6-{4-[2-(3-methylphenoxy)ethoxy]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/C27H27N5O4S/c1-18-5-4-6-21(15-18)36-14-13-35-20-9-7-19(8-10-20)16-22-25(28)32-27(29-26(22)34)37-23(30-32)17-24(33)31-11-2-3-12-31/h4-10,15-16,28H,2-3,11-14,17H2,1H3/b22-16-,28-25?
InChIKey LCWCIVYJVRTHPQ-KOKPDDJTSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_21599
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: D55122; Labnumber: CEP5-0630; SBI_ID: SBI-021603
Synonyms 5-imino-6-{4-[2-(3-methylphenoxy)ethoxy]benzylidene}-2-[2-oxo-2-(1-pyrrolidinyl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 315 °C