2-[methyl-[4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]carbamoyl]benzoic acid

SpectraBase Compound ID	8DVFXRugtCY
InChI	InChI=1S/C18H13F6NO4/c1-25(14(26)12-4-2-3-5-13(12)15(27)28)11-8-6-10(7-9-11)16(29,17(19,20)21)18(22,23)24/h2-9,29H,1H3,(H,27,28)
InChIKey	CTIZPMQWQZHSKA-UHFFFAOYSA-N Google Search
Mol Weight	421.3 g/mol
Molecular Formula	C18H13F6NO4
Exact Mass	421.074877 g/mol

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SpectraBase Spectrum ID	CDIucpbqUyD
Name	2-[methyl-[4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]carbamoyl]benzoic acid
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C18H13F6NO4
InChI	InChI=1S/C18H13F6NO4/c1-25(14(26)12-4-2-3-5-13(12)15(27)28)11-8-6-10(7-9-11)16(29,17(19,20)21)18(22,23)24/h2-9,29H,1H3,(H,27,28)
InChIKey	CTIZPMQWQZHSKA-UHFFFAOYSA-N
Molecular Weight	421.295 g/mol
SMILES	OC(c1c(C(N(c2ccc(C(C(F)(F)F)(C(F)(F)F)O)cc2)C)=O)cccc1)=O
SPLASH	splash10-0f6t-4950000000-eb3ae298e4d24b10cadd
Synonyms	2-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-methylanilino]-oxomethyl]benzoic acid 2-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-methylcarbamoyl]benzoic acid 2-[[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-methyl-carbamoyl]benzoic acid
Wiley ID	1438643