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3,5-dimethyl-4-iodopyrazole
SpectraBase Compound ID 94pOYNbCj4A
InChI InChI=1S/C5H7IN2/c1-3-5(6)4(2)8-7-3/h1-2H3,(H,7,8)
InChIKey MZZXIXHKDJNBJQ-UHFFFAOYSA-N
Mol Weight 222.03 g/mol
Molecular Formula C5H7IN2
Exact Mass 221.965393 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LvjW7y0K7s6
Name 4-Iodo-3,5-dimethyl-1H-pyrazole
Appearance Yellowish-white solid
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 221.965393233 u
Formula C5H7IN2
GC Column HP-5MS (30 m x 0.25 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C5H7IN2/c1-3-5(6)4(2)8-7-3/h1-2H3,(H,7,8)
InChIKey MZZXIXHKDJNBJQ-UHFFFAOYSA-N
Instrument Name Agilent 6890N-5973
Ionization Type EI
Literature Reference DOI 10.1002/chem.201502995
Molecular Weight 222.029 g/mol
Quality 163
SMILES N1C(=C(C(=N1)C)I)C
SPLASH splash10-00di-3190000000-06394a5328b2a635901a
Source of Spectrum QE-21-SM13-1j (DOI: 10.1002/chem.201502995)
Wiley ID 1907299