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(6Z)-6-{3-chloro-5-methoxy-4-[2-(4-methylphenoxy)ethoxy]benzylidene}-5-imino-2-isopropyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID I9G1T0BFjE7
InChI InChI=1S/C25H25ClN4O4S/c1-14(2)24-29-30-22(27)18(23(31)28-25(30)35-24)11-16-12-19(26)21(20(13-16)32-4)34-10-9-33-17-7-5-15(3)6-8-17/h5-8,11-14,27H,9-10H2,1-4H3/b18-11-,27-22?
InChIKey ORUVNJVRJJFCBX-SHSFFGECSA-N
Mol Weight 513.01 g/mol
Molecular Formula C25H25ClN4O4S
Exact Mass 512.128504 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KUTqfzYKFP0
Name (6Z)-6-{3-chloro-5-methoxy-4-[2-(4-methylphenoxy)ethoxy]benzylidene}-5-imino-2-isopropyl-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/C25H25ClN4O4S/c1-14(2)24-29-30-22(27)18(23(31)28-25(30)35-24)11-16-12-19(26)21(20(13-16)32-4)34-10-9-33-17-7-5-15(3)6-8-17/h5-8,11-14,27H,9-10H2,1-4H3/b18-11-,27-22?
InChIKey ORUVNJVRJJFCBX-SHSFFGECSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_7446
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: 127236; Labnumber: CEP2K-01663; VK_ID: VK-007450
Synonyms 6-{3-chloro-5-methoxy-4-[2-(4-methylphenoxy)ethoxy]benzylidene}-5-imino-2-isopropyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 315 °C