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3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde N-allylthiosemicarbazone
SpectraBase Compound ID EIXYJ4E07n7
InChI InChI=1S/C18H22BrN5OS/c1-5-8-20-18(26)22-21-10-14-6-7-16(25-4)15(9-14)11-24-13(3)17(19)12(2)23-24/h5-7,9-10H,1,8,11H2,2-4H3,(H2,20,22,26)/b21-10+
InChIKey ZCDJAUZQIVUQQE-UFFVCSGVSA-N
Mol Weight 436.37 g/mol
Molecular Formula C18H22BrN5OS
Exact Mass 435.072845 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LPDPBgkg1l1
Name 3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)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/C18H22BrN5OS/c1-5-8-20-18(26)22-21-10-14-6-7-16(25-4)15(9-14)11-24-13(3)17(19)12(2)23-24/h5-7,9-10H,1,8,11H2,2-4H3,(H2,20,22,26)/b21-10+
InChIKey ZCDJAUZQIVUQQE-UFFVCSGVSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_16124
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: D09986; Labnumber: KHAN-0597; SBI_ID: SBI-016127
Temperature 308 °C