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3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde N-phenylthiosemicarbazone
SpectraBase Compound ID 2irx7csCY4R
InChI InChI=1S/C21H22N6O3S/c1-14-20(27(28)29)15(2)26(25-14)13-17-11-16(9-10-19(17)30-3)12-22-24-21(31)23-18-7-5-4-6-8-18/h4-12H,13H2,1-3H3,(H2,23,24,31)/b22-12+
InChIKey XOOMBJRRBDCCSN-WSDLNYQXSA-N
Mol Weight 438.51 g/mol
Molecular Formula C21H22N6O3S
Exact Mass 438.14741 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5kMwtc9URnU
Name 3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)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/C21H22N6O3S/c1-14-20(27(28)29)15(2)26(25-14)13-17-11-16(9-10-19(17)30-3)12-22-24-21(31)23-18-7-5-4-6-8-18/h4-12H,13H2,1-3H3,(H2,23,24,31)/b22-12+
InChIKey XOOMBJRRBDCCSN-WSDLNYQXSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_16116
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: D09977; Labnumber: KHAN-0587; SBI_ID: SBI-016119
Temperature 308 °C