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4-Iodo-3,5-dimethyl-1-phenyl-1H-pyrazole
SpectraBase Compound ID 18l14pCjHcX
InChI InChI=1S/C11H11IN2/c1-8-11(12)9(2)14(13-8)10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKey GTFIQMRXGULZQM-UHFFFAOYSA-N
Mol Weight 298.13 g/mol
Molecular Formula C11H11IN2
Exact Mass 297.996693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ko3ClOCHnv9
Name 4-Iodo-3,5-dimethyl-1-phenyl-1H-pyrazole
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11IN2
InChI InChI=1S/C11H11IN2/c1-8-11(12)9(2)14(13-8)10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKey GTFIQMRXGULZQM-UHFFFAOYSA-N
Instrument Name Finnigan MAT SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.0c02106
Molecular Weight 298.127 g/mol
SMILES c1(I)c(n[n](c1C)-c1ccccc1)C
SPLASH splash10-004j-9650000000-a77199931b88dc8395f3
Source of Spectrum JOC-86-329-21b
Wiley ID 1867685