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(6Z)-5-imino-6-{3-[2-(2-isopropyl-5-methylphenoxy)ethoxy]benzylidene}-2-(4-methylphenyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID LwPf9S7BQ3c
InChI InChI=1S/C31H30N4O3S/c1-19(2)25-13-10-21(4)16-27(25)38-15-14-37-24-7-5-6-22(17-24)18-26-28(32)35-31(33-29(26)36)39-30(34-35)23-11-8-20(3)9-12-23/h5-13,16-19,32H,14-15H2,1-4H3/b26-18-,32-28?
InChIKey ANAIKNVRRNBKNX-FBYMBKKWSA-N
Mol Weight 538.67 g/mol
Molecular Formula C31H30N4O3S
Exact Mass 538.203862 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LatsNFEPM5q
Name (6Z)-5-imino-6-{3-[2-(2-isopropyl-5-methylphenoxy)ethoxy]benzylidene}-2-(4-methylphenyl)-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/C31H30N4O3S/c1-19(2)25-13-10-21(4)16-27(25)38-15-14-37-24-7-5-6-22(17-24)18-26-28(32)35-31(33-29(26)36)39-30(34-35)23-11-8-20(3)9-12-23/h5-13,16-19,32H,14-15H2,1-4H3/b26-18-,32-28?
InChIKey ANAIKNVRRNBKNX-FBYMBKKWSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_6236
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: 62707; UBI_ID: UBI-006238
Synonyms 5-imino-6-{3-[2-(2-isopropyl-5-methylphenoxy)ethoxy]benzylidene}-2-(4-methylphenyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 308 °C