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4-Allyl-3-chloro-1-methyl-5-(phenylthio)-1H-pyrazole

View entire compound with spectra: 1 MS (GC)

4-Allyl-3-chloro-1-methyl-5-(phenylthio)-1H-pyrazole
SpectraBase Compound ID 8wluer0P3Nm
InChI InChI=1S/C13H13ClN2S/c1-3-7-11-12(14)15-16(2)13(11)17-10-8-5-4-6-9-10/h3-6,8-9H,1,7H2,2H3
InChIKey CBSWUAIXRBPDKC-UHFFFAOYSA-N
Mol Weight 264.77 g/mol
Molecular Formula C13H13ClN2S
Exact Mass 264.048797 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DwOAtlSORGj
Name 4-Allyl-3-chloro-1-methyl-5-(phenylthio)-1H-pyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13ClN2S
InChI InChI=1S/C13H13ClN2S/c1-3-7-11-12(14)15-16(2)13(11)17-10-8-5-4-6-9-10/h3-6,8-9H,1,7H2,2H3
InChIKey CBSWUAIXRBPDKC-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol901208d
Molecular Weight 264.774 g/mol
SMILES c1([n](nc(c1CC=C)Cl)C)Sc1ccccc1
SPLASH splash10-03di-1790000000-8d974797abe62176c9b6
Source of Spectrum A1-11-3326/SM19-11b
Wiley ID 1757031