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1-(4-chlorobenzyl)-3-isothiocyanato-1H-pyrazole

View entire compound with spectra: 1 NMR

1-(4-chlorobenzyl)-3-isothiocyanato-1H-pyrazole
SpectraBase Compound ID AIMTrwn3ZUK
InChI InChI=1S/C11H8ClN3S/c12-10-3-1-9(2-4-10)7-15-6-5-11(14-15)13-8-16/h1-6H,7H2
InChIKey MFSGNFGHKOLFFH-UHFFFAOYSA-N
Mol Weight 249.72 g/mol
Molecular Formula C11H8ClN3S
Exact Mass 249.012746 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 13MDi0sYVwW
Name 1-(4-chlorobenzyl)-3-isothiocyanato-1H-pyrazole
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/C11H8ClN3S/c12-10-3-1-9(2-4-10)7-15-6-5-11(14-15)13-8-16/h1-6H,7H2
InChIKey MFSGNFGHKOLFFH-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_7758
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: UZI/1268929; Labnumber: COL6070; UZI_ID: UZI-007760
Temperature 318 °C