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2-(5-tert-Butyl-benzo[1,3]oxathiol-2-ylidene)-3,3,3-trifluoro-propionic acid methyl ester
SpectraBase Compound ID 2lQhZuIXSs5
InChI InChI=1S/C15H15F3O3S/c1-14(2,3)8-5-6-9-10(7-8)22-13(21-9)11(12(19)20-4)15(16,17)18/h5-7H,1-4H3/b13-11+
InChIKey LZCMVWMVDAPPAT-ACCUITESSA-N
Mol Weight 332.34 g/mol
Molecular Formula C15H15F3O3S
Exact Mass 332.0694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B09EGUceqFk
Name 2-(5-tert-Butyl-benzo[1,3]oxathiol-2-ylidene)-3,3,3-trifluoro-propionic acid methyl ester
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Formula C15H15F3O3S
InChI InChI=1S/C15H15F3O3S/c1-14(2,3)8-5-6-9-10(7-8)22-13(21-9)11(12(19)20-4)15(16,17)18/h5-7H,1-4H3/b13-11+
InChIKey LZCMVWMVDAPPAT-ACCUITESSA-N
Molecular Weight 332.337 g/mol
SMILES COC(\C(=C/1Sc2c(O1)ccc(c2)C(C)(C)C)C(F)(F)F)=O
SPLASH splash10-014i-3539000000-320827990e7239b39b3d
Synonyms (2E)-2-(5-tert-butyl-1,3-benzoxathiol-2-ylidene)-3,3,3-trifluoro-propionic acid methyl ester (2E)-2-(5-tert-butyl-1,3-benzoxathiol-2-ylidene)-3,3,3-trifluoropropanoic acid methyl ester Methyl (2E)-2-(5-tert-butyl-1,3-benzoxathiol-2-ylidene)-3,3,3-trifluoro-propanoate Methyl (2E)-2-(5-tert-butyl-1,3-benzoxathiol-2-ylidene)-3,3,3-tris(fluoranyl)propanoate Methyl 2-(5-tert-butyl-1,3-benzoxathiol-2-ylidene)-3,3,3-trifluoropropanoate
Wiley ID 1463110