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(3Z)-4,4,4-Trifluoro-1-phenyl-1,3-butanedione 3-thiosemicarbazone
SpectraBase Compound ID 9SeYw4JpYT3
InChI InChI=1S/C11H10F3N3OS/c12-11(13,14)9(16-17-10(15)19)6-8(18)7-4-2-1-3-5-7/h1-5H,6H2,(H3,15,17,19)/b16-9-
InChIKey LCPQQGDENVODRM-SXGWCWSVSA-N
Mol Weight 289.28 g/mol
Molecular Formula C11H10F3N3OS
Exact Mass 289.049668 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gumxn7Z5yhn
Name (3Z)-4,4,4-Trifluoro-1-phenyl-1,3-butanedione 3-thiosemicarbazone
Alternate Name(s) 1-[(Z)-[1,1,1-tris(fluoranyl)-4-oxidanylidene-4-phenyl-butan-2-ylidene]amino]thiourea Butane-1,3-dione, 4,4,4-trifluoro-2-phenyl-, 3-thiosemicarbazone [(Z)-(1,1,1-trifluoro-4-oxo-4-phenylbutan-2-ylidene)amino]thiourea [(Z)-[3-keto-3-phenyl-1-(trifluoromethyl)propylidene]amino]thiourea [(Z)-[3-oxo-3-phenyl-1-(trifluoromethyl)propylidene]amino]thiourea
CAS Registry Number 66403-92-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H10F3N3OS
InChI InChI=1S/C11H10F3N3OS/c12-11(13,14)9(16-17-10(15)19)6-8(18)7-4-2-1-3-5-7/h1-5H,6H2,(H3,15,17,19)/b16-9-
InChIKey LCPQQGDENVODRM-SXGWCWSVSA-N
Molecular Weight 289.276 g/mol
SMILES N(\N=C\(CC(c1ccccc1)=O)C(F)(F)F)C(N)=S
SPLASH splash10-01ox-9000000000-7c7d32ccf3eaa14db95e
Source of Spectrum AD-0-2532-0
Wiley ID 1431873