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4-(CINNAMOYLTHIO)-2,5-DIHYDRO-2,2,5,5-TETRAKIS-(TRIFLUOROMETHYL)-THIAZOLE
SpectraBase Compound ID 6ykR6cQhkhi
InChI InChI=1S/C16H9F12NS2/c17-13(18,19)11(14(20,21)22)10(30-8-4-7-9-5-2-1-3-6-9)29-12(31-11,15(23,24)25)16(26,27)28/h1-7H,8H2/b7-4+
InChIKey FEKJRTUCBDKANP-QPJJXVBHSA-N
Mol Weight 507.36 g/mol
Molecular Formula C16H9F12NS2
Exact Mass 506.99848 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CHtuQpQzXfj
Name 4-(cynnamylthio)-2,5-dihydro-2,2,5,5-tetrakis(trifluoromethyl)thiazole
CAS Registry Number 124177-38-4
Comments Less than 3 mono-isotopic peaks
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Formula C16H9F12NS2
InChI InChI=1S/C16H9F12NS2/c17-13(18,19)11(14(20,21)22)10(30-8-4-7-9-5-2-1-3-6-9)29-12(31-11,15(23,24)25)16(26,27)28/h1-7H,8H2/b7-4+
InChIKey FEKJRTUCBDKANP-QPJJXVBHSA-N
Molecular Weight 507.356 g/mol
SMILES C1(N=C(SC\C=C\c2ccccc2)C(S1)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F
SPLASH splash10-014i-0900020000-b06a2f357e0bbff88867
Source of Spectrum K-123-436-5
Synonyms (2E)-3-phenyl-2-propenyl 2,2,5,5-tetrakis(trifluoromethyl)-2,5-dihydro-1,3-thiazol-4-yl sulfide 4-{[(2E)-3-phenyl-2-propenyl]sulfanyl}-2,2,5,5-tetrakis(trifluoromethyl)-2,5-dihydro-1,3-thiazole
Wiley ID 1399992