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4-Benzylthio-1,3,5-trimethyl-pyrazole

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4-Benzylthio-1,3,5-trimethyl-pyrazole
SpectraBase Compound ID HbQvMhiMK4b
InChI InChI=1S/C13H16N2S/c1-10-13(11(2)15(3)14-10)16-9-12-7-5-4-6-8-12/h4-8H,9H2,1-3H3
InChIKey UFPVAYGSCREGEZ-UHFFFAOYSA-N
Mol Weight 232.34 g/mol
Molecular Formula C13H16N2S
Exact Mass 232.10342 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3twzOHaHpyi
Name 4-(BENZYLTHIO)-1,3,5-TRIMETHYLPYRAZOLE
Source of Sample R. Alabaster & W. Barry, Merck Sharp & Dohme Research Laboratories, Hoddesdon, Hertfordshire, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16N2S
InChI InChI=1S/C13H16N2S/c1-10-13(11(2)15(3)14-10)16-9-12-7-5-4-6-8-12/h4-8H,9H2,1-3H3
InChIKey UFPVAYGSCREGEZ-UHFFFAOYSA-N
Melting Point 48-49.5C
Molecular Weight 232.35
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms PYRAZOLE, 4-/BENZYLTHIO/-1,3,5-TRIMETHYL-,