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2-{[(4-chloro-1H-pyrazol-1-yl)methyl]sulfanyl}-N-(2,4-dimethylphenyl)acetamide
SpectraBase Compound ID 7WhJMfVowdk
InChI InChI=1S/C14H16ClN3OS/c1-10-3-4-13(11(2)5-10)17-14(19)8-20-9-18-7-12(15)6-16-18/h3-7H,8-9H2,1-2H3,(H,17,19)
InChIKey XJMHORDULFKNPY-UHFFFAOYSA-N
Mol Weight 309.82 g/mol
Molecular Formula C14H16ClN3OS
Exact Mass 309.070261 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4j8hHDOG6Qa
Name 2-{[(4-chloro-1H-pyrazol-1-yl)methyl]sulfanyl}-N-(2,4-dimethylphenyl)acetamide
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/C14H16ClN3OS/c1-10-3-4-13(11(2)5-10)17-14(19)8-20-9-18-7-12(15)6-16-18/h3-7H,8-9H2,1-2H3,(H,17,19)
InChIKey XJMHORDULFKNPY-UHFFFAOYSA-N
NMR Offset 17.9121
NMR Spectrometer Frequency 500.077
Observed nucleus 1H
Origin 1H_SBI_36227_31809
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: 1843383; SBI_ID: SBI-031813
Temperature 303 °C