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(6Z)-6-{4-[2-(2,5-dimethylphenoxy)ethoxy]benzylidene}-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 5eRpqbfAUMx
InChI InChI=1S/C28H29N5O4S/c1-18-5-6-19(2)23(15-18)37-14-13-36-21-9-7-20(8-10-21)16-22-26(29)33-28(30-27(22)35)38-24(31-33)17-25(34)32-11-3-4-12-32/h5-10,15-16,29H,3-4,11-14,17H2,1-2H3/b22-16-,29-26?
InChIKey CVQWGNKJPDXRTA-UAJGQANVSA-N
Mol Weight 531.63 g/mol
Molecular Formula C28H29N5O4S
Exact Mass 531.194026 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID I0f2KYtmoeM
Name (6Z)-6-{4-[2-(2,5-dimethylphenoxy)ethoxy]benzylidene}-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/C28H29N5O4S/c1-18-5-6-19(2)23(15-18)37-14-13-36-21-9-7-20(8-10-21)16-22-26(29)33-28(30-27(22)35)38-24(31-33)17-25(34)32-11-3-4-12-32/h5-10,15-16,29H,3-4,11-14,17H2,1-2H3/b22-16-,29-26?
InChIKey CVQWGNKJPDXRTA-UAJGQANVSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25885
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: D61712; Labnumber: CEP5-0838; SBI_ID: SBI-025889
Synonyms 6-{4-[2-(2,5-dimethylphenoxy)ethoxy]benzylidene}-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