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Propanoic acid, 2-(4-allyloxycarbonylamino-3-methylphenyl)-3,3,3-trifluoro-2-hydroxy-, ethyl ester
SpectraBase Compound ID DJiVxXMN0cR
InChI InChI=1S/C16H18F3NO5/c1-4-8-25-14(22)20-12-7-6-11(9-10(12)3)15(23,16(17,18)19)13(21)24-5-2/h4,6-7,9,23H,1,5,8H2,2-3H3,(H,20,22)
InChIKey ONHPIOKYYULPFO-UHFFFAOYSA-N
Mol Weight 361.32 g/mol
Molecular Formula C16H18F3NO5
Exact Mass 361.113707 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1XkjwcmylY
Name Propanoic acid, 2-(4-allyloxycarbonylamino-3-methylphenyl)-3,3,3-trifluoro-2-hydroxy-, ethyl ester
Alternate Name(s) 2-[4-(allyloxycarbonylamino)-3-methyl-phenyl]-3,3,3-trifluoro-2-hydroxy-propionic acid ethyl ester 3,3,3-trifluoro-2-hydroxy-2-[3-methyl-4-[[oxo(prop-2-enoxy)methyl]amino]phenyl]propanoic acid ethyl ester Ethyl 2-[4-(allyloxycarbonylamino)-3-methyl-phenyl]-3,3,3-trifluoro-2-hydroxy-propanoate Ethyl 3,3,3-trifluoro-2-hydroxy-2-[3-methyl-4-(prop-2-enoxycarbonylamino)phenyl]propanoate Ethyl 3,3,3-tris(fluoranyl)-2-[3-methyl-4-(prop-2-enoxycarbonylamino)phenyl]-2-oxidanyl-propanoate
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Formula C16H18F3NO5
InChI InChI=1S/C16H18F3NO5/c1-4-8-25-14(22)20-12-7-6-11(9-10(12)3)15(23,16(17,18)19)13(21)24-5-2/h4,6-7,9,23H,1,5,8H2,2-3H3,(H,20,22)
InChIKey ONHPIOKYYULPFO-UHFFFAOYSA-N
Molecular Weight 361.317 g/mol
SMILES N(C(=O)OCC=C)c1c(cc(C(C(F)(F)F)(C(=O)OCC)O)cc1)C
SPLASH splash10-000i-4591000000-f684881742f0fd1068fb
Source of Spectrum AD-0-2532-0
Wiley ID 1420680