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N'-{(E)-[4-(diethylamino)phenyl]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 9QRYyStDG4H
InChI InChI=1S/C29H31N5O2S2/c1-3-33(4-2)21-16-14-20(15-17-21)18-30-32-25(35)19-37-29-31-27-26(23-12-8-9-13-24(23)38-27)28(36)34(29)22-10-6-5-7-11-22/h5-7,10-11,14-18H,3-4,8-9,12-13,19H2,1-2H3,(H,32,35)/b30-18+
InChIKey KQKJWILOEWEBIT-UXHLAJHPSA-N
Mol Weight 545.72 g/mol
Molecular Formula C29H31N5O2S2
Exact Mass 545.191918 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8JGdjARONgT
Name N'-{(E)-[4-(diethylamino)phenyl]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/C29H31N5O2S2/c1-3-33(4-2)21-16-14-20(15-17-21)18-30-32-25(35)19-37-29-31-27-26(23-12-8-9-13-24(23)38-27)28(36)34(29)22-10-6-5-7-11-22/h5-7,10-11,14-18H,3-4,8-9,12-13,19H2,1-2H3,(H,32,35)/b30-18+
InChIKey KQKJWILOEWEBIT-UXHLAJHPSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_16711
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: D24323; Labnumber: GRES-02298; SBI_ID: SBI-016714
Synonyms N'-{[4-(diethylamino)phenyl]methylidene}-2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetohydrazide
Temperature 318 °C