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trans-1-cinnamoyl-3-(a,a,a,a',a',a'-hexafluoro-3,5-xylyl)-2-thiourea
SpectraBase Compound ID JyV87NrcNGd
InChI InChI=1S/C18H12F6N2OS/c19-17(20,21)12-8-13(18(22,23)24)10-14(9-12)25-16(28)26-15(27)7-6-11-4-2-1-3-5-11/h1-10H,(H2,25,26,27,28)/b7-6+
InChIKey IAXRUDFNYNKUBH-VOTSOKGWSA-N
Mol Weight 418.36 g/mol
Molecular Formula C18H12F6N2OS
Exact Mass 418.057453 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4eCH5W3j34U
Name trans-1-cinnamoyl-3-(a,a,a,a',a',a'-hexafluoro-3,5-xylyl)-2-thiourea
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Formula C18H12F6N2OS
InChI InChI=1S/C18H12F6N2OS/c19-17(20,21)12-8-13(18(22,23)24)10-14(9-12)25-16(28)26-15(27)7-6-11-4-2-1-3-5-11/h1-10H,(H2,25,26,27,28)/b7-6+
InChIKey IAXRUDFNYNKUBH-VOTSOKGWSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 29187M
Solvent Polysol