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N'-[(E)-(4-tert-butylphenyl)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 DoJfVreot3Q
InChI InChI=1S/C30H32N4O2S2/c1-19-9-15-22(16-10-19)34-28(36)26-23-7-5-6-8-24(23)38-27(26)32-29(34)37-18-25(35)33-31-17-20-11-13-21(14-12-20)30(2,3)4/h9-17H,5-8,18H2,1-4H3,(H,33,35)/b31-17+
InChIKey RTNMHRMMCZRCQT-KBVAKVRCSA-N
Mol Weight 544.7 g/mol
Molecular Formula C30H32N4O2S2
Exact Mass 544.196669 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5pyOcPw9up0
Name N'-[(E)-(4-tert-butylphenyl)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/C30H32N4O2S2/c1-19-9-15-22(16-10-19)34-28(36)26-23-7-5-6-8-24(23)38-27(26)32-29(34)37-18-25(35)33-31-17-20-11-13-21(14-12-20)30(2,3)4/h9-17H,5-8,18H2,1-4H3,(H,33,35)/b31-17+
InChIKey RTNMHRMMCZRCQT-KBVAKVRCSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_5823
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: D24192; Labnumber: GRES-02089; SBI_ID: SBI-005826
Synonyms N'-[(4-tert-butylphenyl)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 306 °C