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(6Z)-2-ethyl-5-imino-6-{3-[2-(2-isopropyl-5-methylphenoxy)ethoxy]benzylidene}-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID BBcn9UNOw5h
InChI InChI=1S/C26H28N4O3S/c1-5-23-29-30-24(27)21(25(31)28-26(30)34-23)15-18-7-6-8-19(14-18)32-11-12-33-22-13-17(4)9-10-20(22)16(2)3/h6-10,13-16,27H,5,11-12H2,1-4H3/b21-15-,27-24?
InChIKey LFSVUUQGOAQRGN-QGNOBFDASA-N
Mol Weight 476.6 g/mol
Molecular Formula C26H28N4O3S
Exact Mass 476.188212 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EN6erI2q6bD
Name (6Z)-2-ethyl-5-imino-6-{3-[2-(2-isopropyl-5-methylphenoxy)ethoxy]benzylidene}-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/C26H28N4O3S/c1-5-23-29-30-24(27)21(25(31)28-26(30)34-23)15-18-7-6-8-19(14-18)32-11-12-33-22-13-17(4)9-10-20(22)16(2)3/h6-10,13-16,27H,5,11-12H2,1-4H3/b21-15-,27-24?
InChIKey LFSVUUQGOAQRGN-QGNOBFDASA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_7451
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: 127241; Labnumber: CEP2K-02871; VK_ID: VK-007455
Synonyms 2-ethyl-5-imino-6-{3-[2-(2-isopropyl-5-methylphenoxy)ethoxy]benzylidene}-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 315 °C