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N'-[(E)-1-(4-methoxyphenyl)ethylidene]-2-{[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetohydrazide
SpectraBase Compound ID D3kiiT5lRzu
InChI InChI=1S/C28H28N4O3S2/c1-17-8-12-20(13-9-17)32-27(34)25-22-6-4-5-7-23(22)37-26(25)29-28(32)36-16-24(33)31-30-18(2)19-10-14-21(35-3)15-11-19/h8-15H,4-7,16H2,1-3H3,(H,31,33)/b30-18+
InChIKey NVVUGVRQWICFAR-UXHLAJHPSA-N
Mol Weight 532.68 g/mol
Molecular Formula C28H28N4O3S2
Exact Mass 532.160283 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5rwHKo2IUGl
Name N'-[(E)-1-(4-methoxyphenyl)ethylidene]-2-{[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetohydrazide
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/C28H28N4O3S2/c1-17-8-12-20(13-9-17)32-27(34)25-22-6-4-5-7-23(22)37-26(25)29-28(32)36-16-24(33)31-30-18(2)19-10-14-21(35-3)15-11-19/h8-15H,4-7,16H2,1-3H3,(H,31,33)/b30-18+
InChIKey NVVUGVRQWICFAR-UXHLAJHPSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_16669
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: D24231; Labnumber: GRES-02128; SBI_ID: SBI-016672
Synonyms N'-[1-(4-methoxyphenyl)ethylidene]-2-{[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetohydrazide
Temperature 308 °C