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3-Methyl-5-(3-methylbut-2-enylsulfanyl)-1-phenyl-pyrazole-4-carbaldehyde
SpectraBase Compound ID IHrNyiFoAk3
InChI InChI=1S/C16H18N2OS/c1-12(2)9-10-20-16-15(11-19)13(3)17-18(16)14-7-5-4-6-8-14/h4-9,11H,10H2,1-3H3
InChIKey IHQYLKDWHVFPHF-UHFFFAOYSA-N
Mol Weight 286.39 g/mol
Molecular Formula C16H18N2OS
Exact Mass 286.113984 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5CQEb3O9zX
Name 3-Methyl-5-(3-methylbut-2-enylsulfanyl)-1-phenyl-pyrazole-4-carbaldehyde
Alternate Name(s) 3-Methyl-5-(3-methylbut-2-enylthio)-1-phenyl-4-pyrazolecarboxaldehyde 3-Methyl-5-(3-methylbut-2-enylthio)-1-phenyl-pyrazole-4-carbaldehyde
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Formula C16H18N2OS
InChI InChI=1S/C16H18N2OS/c1-12(2)9-10-20-16-15(11-19)13(3)17-18(16)14-7-5-4-6-8-14/h4-9,11H,10H2,1-3H3
InChIKey IHQYLKDWHVFPHF-UHFFFAOYSA-N
Molecular Weight 286.393 g/mol
SMILES c1([n](nc(c1C=O)C)-c1ccccc1)SCC=C(C)C
SPLASH splash10-014i-9040000000-b67988ecb0d4a9e6dd4d
Source of Spectrum KC-0-2556-22
Wiley ID 782142