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N'-[(E)-(4-tert-butylphenyl)methylidene]-2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetohydrazide
SpectraBase Compound ID 7akfHx4YKyF
InChI InChI=1S/C29H30N4O2S2/c1-29(2,3)20-15-13-19(14-16-20)17-30-32-24(34)18-36-28-31-26-25(22-11-7-8-12-23(22)37-26)27(35)33(28)21-9-5-4-6-10-21/h4-6,9-10,13-17H,7-8,11-12,18H2,1-3H3,(H,32,34)/b30-17+
InChIKey SELYUSHZMGTDTL-OCSSWDANSA-N
Mol Weight 530.71 g/mol
Molecular Formula C29H30N4O2S2
Exact Mass 530.181019 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5ibMJP4lwdo
Name N'-[(E)-(4-tert-butylphenyl)methylidene]-2-[(4-oxo-3-phenyl-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/C29H30N4O2S2/c1-29(2,3)20-15-13-19(14-16-20)17-30-32-24(34)18-36-28-31-26-25(22-11-7-8-12-23(22)37-26)27(35)33(28)21-9-5-4-6-10-21/h4-6,9-10,13-17H,7-8,11-12,18H2,1-3H3,(H,32,34)/b30-17+
InChIKey SELYUSHZMGTDTL-OCSSWDANSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_16691
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: D24292; Labnumber: GRES-02266; SBI_ID: SBI-016694
Synonyms N'-[(4-tert-butylphenyl)methylidene]-2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetohydrazide
Temperature 308 °C