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3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxybenzaldehyde N-allylthiosemicarbazone
SpectraBase Compound ID 7UPg7amgcgB
InChI InChI=1S/C20H20N4OS3/c1-3-10-21-19(26)24-22-12-14-8-9-17(25-2)15(11-14)13-27-20-23-16-6-4-5-7-18(16)28-20/h3-9,11-12H,1,10,13H2,2H3,(H2,21,24,26)/b22-12+
InChIKey HJDTWQKQUPCSAY-WSDLNYQXSA-N
Mol Weight 428.59 g/mol
Molecular Formula C20H20N4OS3
Exact Mass 428.079925 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID L5wuTpqMaQC
Name 3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxybenzaldehyde N-allylthiosemicarbazone
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/C20H20N4OS3/c1-3-10-21-19(26)24-22-12-14-8-9-17(25-2)15(11-14)13-27-20-23-16-6-4-5-7-18(16)28-20/h3-9,11-12H,1,10,13H2,2H3,(H2,21,24,26)/b22-12+
InChIKey HJDTWQKQUPCSAY-WSDLNYQXSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_16113
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: D09973; Labnumber: KHAN-0581; SBI_ID: SBI-016116
Temperature 308 °C