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3-[(1H-benzimidazol-2-ylsulfanyl)methyl]-4-methoxybenzaldehyde N-phenylthiosemicarbazone
SpectraBase Compound ID Zo50r5EIhx
InChI InChI=1S/C23H21N5OS2/c1-29-21-12-11-16(14-24-28-22(30)25-18-7-3-2-4-8-18)13-17(21)15-31-23-26-19-9-5-6-10-20(19)27-23/h2-14H,15H2,1H3,(H,26,27)(H2,25,28,30)/b24-14+
InChIKey MXKPRWUUTPBDAL-ZVHZXABRSA-N
Mol Weight 447.58 g/mol
Molecular Formula C23H21N5OS2
Exact Mass 447.118753 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CJ77Mv4Rcn6
Name 3-[(1H-benzimidazol-2-ylsulfanyl)methyl]-4-methoxybenzaldehyde N-phenylthiosemicarbazone
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/C23H21N5OS2/c1-29-21-12-11-16(14-24-28-22(30)25-18-7-3-2-4-8-18)13-17(21)15-31-23-26-19-9-5-6-10-20(19)27-23/h2-14H,15H2,1H3,(H,26,27)(H2,25,28,30)/b24-14+
InChIKey MXKPRWUUTPBDAL-ZVHZXABRSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_16122
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: D09984; Labnumber: KHAN-0594; SBI_ID: SBI-016125
Temperature 308 °C