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4-(2-Hydroxy-3,5-dimethylbenzoyl)-1-(morpholin-4-ylcarbonothioyl)-1H-pyrazole
SpectraBase Compound ID 1tq3KjewJHT
InChI InChI=1S/C17H19N3O3S/c1-11-7-12(2)15(21)14(8-11)16(22)13-9-18-20(10-13)17(24)19-3-5-23-6-4-19/h7-10,21H,3-6H2,1-2H3
InChIKey UASBSNMEGSUQLT-UHFFFAOYSA-N
Mol Weight 345.42 g/mol
Molecular Formula C17H19N3O3S
Exact Mass 345.114713 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3EsTrRCqbZe
Name 4-(2-Hydroxy-3,5-dimethylbenzoyl)-1-(morpholin-4-ylcarbonothioyl)-1H-pyrazole
Appearance Pale yellow crystals
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Formula C17H19N3O3S
InChI InChI=1S/C17H19N3O3S/c1-11-7-12(2)15(21)14(8-11)16(22)13-9-18-20(10-13)17(24)19-3-5-23-6-4-19/h7-10,21H,3-6H2,1-2H3
InChIKey UASBSNMEGSUQLT-UHFFFAOYSA-N
Instrument Name Shimadzu GC-2010
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3291
Molecular Weight 345.417 g/mol
SMILES Oc1c(C(c2cn[n](c2)C(=S)N2CCOCC2)=O)cc(cc1C)C
SPLASH splash10-0020-9631000000-168f36d044cf1d6dc77d
Source of Spectrum Y-55-2321-9
Wiley ID 1878862