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5-ALLYLSULFANYL-3-METHYL-1-PHENYLPYRAZOLE-4-CARBALDEHYDE
SpectraBase Compound ID B2lRaPpPkwW
InChI InChI=1S/C14H14N2OS/c1-3-9-18-14-13(10-17)11(2)15-16(14)12-7-5-4-6-8-12/h3-8,10H,1,9H2,2H3
InChIKey QNUNKJJRZYMIOI-UHFFFAOYSA-N
Mol Weight 258.34 g/mol
Molecular Formula C14H14N2OS
Exact Mass 258.082684 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LQZ7XJy0SNN
Name 3-Methyl-1-phenyl-5-(prop-2-enylthio)-4-pyrazolecarboxaldehyde
Alternate Name(s) 3-Methyl-1-phenyl-5-prop-2-enylsulfanyl-pyrazole-4-carbaldehyde 5-(allylthio)-3-methyl-1-phenyl-pyrazole-4-carbaldehyde 3-Methyl-1-phenyl-5-prop-2-enylsulfanylpyrazole-4-carbaldehyde
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14N2OS
InChI InChI=1S/C14H14N2OS/c1-3-9-18-14-13(10-17)11(2)15-16(14)12-7-5-4-6-8-12/h3-8,10H,1,9H2,2H3
InChIKey QNUNKJJRZYMIOI-UHFFFAOYSA-N
Molecular Weight 258.339 g/mol
SMILES c1([n](nc(c1C=O)C)-c1ccccc1)SCC=C
SPLASH splash10-004i-9260000000-217575779c0c2d1d7349
Source of Spectrum KC-0-2555-7
Wiley ID 782149