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(E)-1-Phenyl-5-(3-thienylethynyl)-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde oxime
SpectraBase Compound ID 3Xbe29DpfZG
InChI InChI=1S/C17H10F3N3OS/c18-17(19,20)16-14(10-21-24)15(7-6-12-8-9-25-11-12)23(22-16)13-4-2-1-3-5-13/h1-5,8-11,24H/b21-10+
InChIKey BQGZGINHGZCLNN-UFFVCSGVSA-N
Mol Weight 361.34 g/mol
Molecular Formula C17H10F3N3OS
Exact Mass 361.049668 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KjLhj66NCaU
Name (E)-1-Phenyl-5-(3-thienylethynyl)-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde oxime
Appearance Light brown crystals
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Formula C17H10F3N3OS
InChI InChI=1S/C17H10F3N3OS/c18-17(19,20)16-14(10-21-24)15(7-6-12-8-9-25-11-12)23(22-16)13-4-2-1-3-5-13/h1-5,8-11,24H/b21-10+
InChIKey BQGZGINHGZCLNN-UFFVCSGVSA-N
Instrument Name Shimadzu QP 1000
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.10.183
Molecular Weight 361.342 g/mol
Reported Formula C17H10F3N3O
SMILES O\N=C\c1c(n[n](-c2ccccc2)c1C#Cc1cscc1)C(F)(F)F
SPLASH splash10-002f-3049000000-80c4a25b990797653614
Source of Spectrum BJO-10-SM7-6b
Wiley ID 1853954