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N'-[(E)-(4-chlorophenyl)methylidene]-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 45CHIpEVQ3S
InChI InChI=1S/C26H23ClN4O2S2/c1-16-6-12-19(13-7-16)31-25(33)23-20-4-2-3-5-21(20)35-24(23)29-26(31)34-15-22(32)30-28-14-17-8-10-18(27)11-9-17/h6-14H,2-5,15H2,1H3,(H,30,32)/b28-14+
InChIKey OWDPDPDGCWVHGF-CCVNUDIWSA-N
Mol Weight 523.07 g/mol
Molecular Formula C26H23ClN4O2S2
Exact Mass 522.095096 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1eFoVBvC6R9
Name N'-[(E)-(4-chlorophenyl)methylidene]-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/C26H23ClN4O2S2/c1-16-6-12-19(13-7-16)31-25(33)23-20-4-2-3-5-21(20)35-24(23)29-26(31)34-15-22(32)30-28-14-17-8-10-18(27)11-9-17/h6-14H,2-5,15H2,1H3,(H,30,32)/b28-14+
InChIKey OWDPDPDGCWVHGF-CCVNUDIWSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_16653
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: D24208; Labnumber: GRES-02105; SBI_ID: SBI-016656
Synonyms N'-[(4-chlorophenyl)methylidene]-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