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4-Benzylthio-3,5-dimethyl-1-phenyl-pyrazole

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4-Benzylthio-3,5-dimethyl-1-phenyl-pyrazole
SpectraBase Compound ID AOJ5a29fnTM
InChI InChI=1S/C18H18N2S/c1-14-18(21-13-16-9-5-3-6-10-16)15(2)20(19-14)17-11-7-4-8-12-17/h3-12H,13H2,1-2H3
InChIKey ZDSKOEUIQSEYDW-UHFFFAOYSA-N
Mol Weight 294.42 g/mol
Molecular Formula C18H18N2S
Exact Mass 294.11907 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bou1WSrOxQm
Name 4-(BENZYLTHIO)-3,5-DIMETHYL-1-PHENYLPYRAZOLE
Source of Sample R. Alabaster & W. Barry, Merch Sharp & Dohme Research Laboratories, Hoddesdon, Hertfordshire, England
Boiling Point 222C/5mm
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18N2S
InChI InChI=1S/C18H18N2S/c1-14-18(21-13-16-9-5-3-6-10-16)15(2)20(19-14)17-11-7-4-8-12-17/h3-12H,13H2,1-2H3
InChIKey ZDSKOEUIQSEYDW-UHFFFAOYSA-N
Molecular Weight 294.42
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms PYRAZOLE, 4-/BENZYLTHIO/-3,5-DIMETHYL-1-PHENYL-,