For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde N-allylthiosemicarbazone
SpectraBase Compound ID 2s5imcQHUYd
InChI InChI=1S/C18H22N6O3S/c1-5-8-19-18(28)21-20-10-14-6-7-16(27-4)15(9-14)11-23-13(3)17(24(25)26)12(2)22-23/h5-7,9-10H,1,8,11H2,2-4H3,(H2,19,21,28)/b20-10+
InChIKey JVJRJVKXRBNAIJ-KEBDBYFISA-N
Mol Weight 402.47 g/mol
Molecular Formula C18H22N6O3S
Exact Mass 402.14741 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID G3NQDkcwaTx
Name 3-[(3,5-dimethyl-4-nitro-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/C18H22N6O3S/c1-5-8-19-18(28)21-20-10-14-6-7-16(27-4)15(9-14)11-23-13(3)17(24(25)26)12(2)22-23/h5-7,9-10H,1,8,11H2,2-4H3,(H2,19,21,28)/b20-10+
InChIKey JVJRJVKXRBNAIJ-KEBDBYFISA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_16125
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: D09987; Labnumber: KHAN-0598; SBI_ID: SBI-016128
Temperature 308 °C