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N'-{(E)-[4-(dimethylamino)phenyl]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 EOTgPMrAWhc
InChI InChI=1S/C28H29N5O2S2/c1-18-8-12-21(13-9-18)33-27(35)25-22-6-4-5-7-23(22)37-26(25)30-28(33)36-17-24(34)31-29-16-19-10-14-20(15-11-19)32(2)3/h8-16H,4-7,17H2,1-3H3,(H,31,34)/b29-16+
InChIKey HOXQTSUQRYHESR-MUFRIFMGSA-N
Mol Weight 531.69 g/mol
Molecular Formula C28H29N5O2S2
Exact Mass 531.176268 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GeyFzlxjyhn
Name N'-{(E)-[4-(dimethylamino)phenyl]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/C28H29N5O2S2/c1-18-8-12-21(13-9-18)33-27(35)25-22-6-4-5-7-23(22)37-26(25)30-28(33)36-17-24(34)31-29-16-19-10-14-20(15-11-19)32(2)3/h8-16H,4-7,17H2,1-3H3,(H,31,34)/b29-16+
InChIKey HOXQTSUQRYHESR-MUFRIFMGSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_16652
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: D24207; Labnumber: GRES-02104; SBI_ID: SBI-016655
Synonyms N'-{[4-(dimethylamino)phenyl]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