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Benzeneacetic acid, 4-[(3-fluorobenzoyl)amino]-.alpha.-hydroxy-3-methoxy-.alpha.-(trifluoromethyl)-, methyl ester
SpectraBase Compound ID FyWDMi1BcUT
InChI InChI=1S/C18H15F4NO5/c1-27-14-9-11(17(26,16(25)28-2)18(20,21)22)6-7-13(14)23-15(24)10-4-3-5-12(19)8-10/h3-9,26H,1-2H3,(H,23,24)
InChIKey XGHOUHREUBHFCJ-UHFFFAOYSA-N
Mol Weight 401.31 g/mol
Molecular Formula C18H15F4NO5
Exact Mass 401.088635 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BmzrqHJQ1Fh
Name Benzeneacetic acid, 4-[(3-fluorobenzoyl)amino]-.alpha.-hydroxy-3-methoxy-.alpha.-(trifluoromethyl)-, methyl ester
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Formula C18H15F4NO5
InChI InChI=1S/C18H15F4NO5/c1-27-14-9-11(17(26,16(25)28-2)18(20,21)22)6-7-13(14)23-15(24)10-4-3-5-12(19)8-10/h3-9,26H,1-2H3,(H,23,24)
InChIKey XGHOUHREUBHFCJ-UHFFFAOYSA-N
Molecular Weight 401.314 g/mol
SMILES OC(c1cc(c(cc1)NC(c1cc(ccc1)F)=O)OC)(C(F)(F)F)C(OC)=O
SPLASH splash10-00di-4922100000-eea6377a9e4dbf2219a1
Source of Spectrum IY-2-5029-7
Synonyms Methyl 3,3,3-trifluoro-2-{4-[(3-fluorobenzene)amido]-3-methoxyphenyl}-2-hydroxypropanoate 3,3,3-trifluoro-2-[4-[[(3-fluorophenyl)-oxomethyl]amino]-3-methoxyphenyl]-2-hydroxypropanoic acid methyl ester Methyl 3,3,3-trifluoro-2-[4-[(3-fluorobenzoyl)amino]-3-methoxyphenyl]-2-hydroxypropanoate Methyl 3,3,3-trifluoro-2-[4-[(3-fluorobenzoyl)amino]-3-methoxy-phenyl]-2-hydroxy-propanoate Methyl 3,3,3-tris(fluoranyl)-2-[4-[(3-fluorophenyl)carbonylamino]-3-methoxy-phenyl]-2-oxidanyl-propanoate
Wiley ID 1658280