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(6Z)-5-imino-6-{4-[2-(2-methoxyphenoxy)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 LrSoOqyVyv5
InChI InChI=1S/C27H27N5O5S/c1-35-21-6-2-3-7-22(21)37-15-14-36-19-10-8-18(9-11-19)16-20-25(28)32-27(29-26(20)34)38-23(30-32)17-24(33)31-12-4-5-13-31/h2-3,6-11,16,28H,4-5,12-15,17H2,1H3/b20-16-,28-25?
InChIKey JJHNQZHLLWYBCQ-MDHMIDBASA-N
Mol Weight 533.6 g/mol
Molecular Formula C27H27N5O5S
Exact Mass 533.17329 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DsrU5q09K7a
Name (6Z)-5-imino-6-{4-[2-(2-methoxyphenoxy)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/C27H27N5O5S/c1-35-21-6-2-3-7-22(21)37-15-14-36-19-10-8-18(9-11-19)16-20-25(28)32-27(29-26(20)34)38-23(30-32)17-24(33)31-12-4-5-13-31/h2-3,6-11,16,28H,4-5,12-15,17H2,1H3/b20-16-,28-25?
InChIKey JJHNQZHLLWYBCQ-MDHMIDBASA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_21605
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: D55135; Labnumber: CEP5-0889; SBI_ID: SBI-021609
Synonyms 5-imino-6-{4-[2-(2-methoxyphenoxy)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