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S-Phenyl 3-(2-oxo-5-(trifluoromethyl)-1(2H)-pyridinyl)propanethioate
SpectraBase Compound ID 1SzhRxhp9SG
InChI InChI=1S/C15H12F3NO2S/c16-15(17,18)11-6-7-13(20)19(10-11)9-8-14(21)22-12-4-2-1-3-5-12/h1-7,10H,8-9H2
InChIKey SFIIHGAAVNIZMH-UHFFFAOYSA-N
Mol Weight 327.32 g/mol
Molecular Formula C15H12F3NO2S
Exact Mass 327.054084 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KpgqlvE8kCK
Name S-Phenyl 3-(2-oxo-5-(trifluoromethyl)-1(2H)-pyridinyl)propanethioate
Alternate Name(s) 3-[2-keto-5-(trifluoromethyl)-1-pyridyl]propanethioic acid S-phenyl ester 3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanethioic acid S-phenyl ester Propanethioic acid, 3-(1,2-dihydro-5-trifluoromethyl-2-oxopyridinyl)-, S-phenyl ester S-phenyl 3-[2-oxidanylidene-5-(trifluoromethyl)pyridin-1-yl]propanethioate S-phenyl 3-[2-oxo-5-(trifluoromethyl)-1-pyridyl]propanethioate S-phenyl 3-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]propanethioate
CAS Registry Number 266303-43-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H12F3NO2S
InChI InChI=1S/C15H12F3NO2S/c16-15(17,18)11-6-7-13(20)19(10-11)9-8-14(21)22-12-4-2-1-3-5-12/h1-7,10H,8-9H2
InChIKey SFIIHGAAVNIZMH-UHFFFAOYSA-N
Molecular Weight 327.321 g/mol
SMILES C1(C(F)(F)F)=CN(CCC(Sc2ccccc2)=O)C(C=C1)=O
SPLASH splash10-0a4i-9320000000-03ef78b479485321b462
Source of Spectrum AD-0-2532-0
Wiley ID 1422126