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5-FURFURYLSULFANYL-3-METHYL-1-PHENYLPYRAZOLE-4-CARBALDEHYDE
SpectraBase Compound ID G0KnCYoIy1P
InChI InChI=1S/C16H14N2O2S/c1-12-15(10-19)16(21-11-14-8-5-9-20-14)18(17-12)13-6-3-2-4-7-13/h2-10H,11H2,1H3
InChIKey MHRBTOMRWSZVBL-UHFFFAOYSA-N
Mol Weight 298.36 g/mol
Molecular Formula C16H14N2O2S
Exact Mass 298.077599 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I0lULNCPRhQ
Name 5-(2-furanylmethylthio)-3-methyl-1-phenyl-4-pyrazolecarboxaldehyde
Alternate Name(s) 5-(2-furfurylthio)-3-methyl-1-phenyl-pyrazole-4-carbaldehyde 5-(2-furylmethylsulfanyl)-3-methyl-1-phenyl-pyrazole-4-carbaldehyde 5-(furan-2-ylmethylsulfanyl)-3-methyl-1-phenyl-pyrazole-4-carbaldehyde
Comments Less than 3 mono-isotopic peaks
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Formula C16H14N2O2S
InChI InChI=1S/C16H14N2O2S/c1-12-15(10-19)16(21-11-14-8-5-9-20-14)18(17-12)13-6-3-2-4-7-13/h2-10H,11H2,1H3
InChIKey MHRBTOMRWSZVBL-UHFFFAOYSA-N
Molecular Weight 298.360 g/mol
SMILES c1([n](nc(c1C=O)C)-c1ccccc1)SCc1occc1
SPLASH splash10-001i-9000000000-4e153212c3d0a0ff896d
Source of Spectrum KC-0-2556-23
Wiley ID 782141