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4-Iodo-3-(methylthio)-1,5-diphenyl-1H-pyrazole

View entire compound with spectra: 1 MS (GC)

4-Iodo-3-(methylthio)-1,5-diphenyl-1H-pyrazole
SpectraBase Compound ID DcWM1wyh7a4
InChI InChI=1S/C16H13IN2S/c1-20-16-14(17)15(12-8-4-2-5-9-12)19(18-16)13-10-6-3-7-11-13/h2-11H,1H3
InChIKey BIKVMDNEEWAVRO-UHFFFAOYSA-N
Mol Weight 392.26 g/mol
Molecular Formula C16H13IN2S
Exact Mass 391.984415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4mnrt0FLSel
Name 4-Iodo-3-(methylthio)-1,5-diphenyl-1H-pyrazole
Alternate Name(s) 4-iodo-3-(methylthio)-1,5-diphenylpyrazole 4-iodo-3-methylsulfanyl-1,5-diphenylpyrazole 4-iodo-3-methylsulfanyl-1,5-diphenyl-pyrazole 4-iodanyl-3-methylsulfanyl-1,5-diphenyl-pyrazole
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13IN2S
InChI InChI=1S/C16H13IN2S/c1-20-16-14(17)15(12-8-4-2-5-9-12)19(18-16)13-10-6-3-7-11-13/h2-11H,1H3
InChIKey BIKVMDNEEWAVRO-UHFFFAOYSA-N
Molecular Weight 392.258 g/mol
SMILES c1(n[n](c(c1I)-c1ccccc1)-c1ccccc1)SC
SPLASH splash10-0006-0009000000-0248721615a87983264f
Source of Spectrum F-67-2965-6b
Wiley ID 1686206