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1H-Pyrazole-1-butanamide, 4-iodo-3,5-dimethyl-N-[2-(methylthio)phenyl]-
SpectraBase Compound ID 6hq9lmDuUNv
InChI InChI=1S/C16H20IN3OS/c1-11-16(17)12(2)20(19-11)10-6-9-15(21)18-13-7-4-5-8-14(13)22-3/h4-5,7-8H,6,9-10H2,1-3H3,(H,18,21)
InChIKey BHTUHXWKZYZTOK-UHFFFAOYSA-N
Mol Weight 429.32 g/mol
Molecular Formula C16H20IN3OS
Exact Mass 429.037178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4eu7HODEcgj
Name 1H-Pyrazole-1-butanamide, 4-iodo-3,5-dimethyl-N-[2-(methylthio)phenyl]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20IN3OS
InChI InChI=1S/C16H20IN3OS/c1-11-16(17)12(2)20(19-11)10-6-9-15(21)18-13-7-4-5-8-14(13)22-3/h4-5,7-8H,6,9-10H2,1-3H3,(H,18,21)
InChIKey BHTUHXWKZYZTOK-UHFFFAOYSA-N
Molecular Weight 429.320 g/mol
SMILES N(c1ccccc1SC)C(=O)CCC[n]1nc(c(c1C)I)C
SPLASH splash10-000f-6490000000-40672a809c3b67e9ff7c
Source of Spectrum IY-1-4643-8
Synonyms 4-(4-iodo-3,5-dimethyl-1-pyrazolyl)-N-[2-(methylthio)phenyl]butanamide 4-(4-iodo-3,5-dimethylpyrazol-1-yl)-N-(2-methylsulfanylphenyl)butanamide 4-(4-iodo-3,5-dimethyl-pyrazol-1-yl)-N-(2-methylsulfanylphenyl)butanamide 4-(4-iodanyl-3,5-dimethyl-pyrazol-1-yl)-N-(2-methylsulfanylphenyl)butanamide
Wiley ID 1654421