Acetic acid, trifluoro-, 4-[2-[(trifluoroacetyl)amino]propyl]-1,2-phenylene ester, (.+-.)-

SpectraBase Compound ID	Jr3gOUwSvEL
InChI	InChI=1S/C15H10F9NO5/c1-6(25-10(26)13(16,17)18)4-7-2-3-8(29-11(27)14(19,20)21)9(5-7)30-12(28)15(22,23)24/h2-3,5-6H,4H2,1H3,(H,25,26)
InChIKey	ZCZJXXJMYBZLFY-UHFFFAOYSA-N Google Search
Mol Weight	455.23 g/mol
Molecular Formula	C15H10F9NO5
Exact Mass	455.041526 g/mol

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SpectraBase Spectrum ID	4ERVcrUbUtf
Name	Acetic acid, trifluoro-, 4-[2-[(trifluoroacetyl)amino]propyl]-1,2-phenylene ester, (.+-.)-
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	455.041525888 u
Formula	C15H10F9NO5
InChI	InChI=1S/C15H10F9NO5/c1-6(25-10(26)13(16,17)18)4-7-2-3-8(29-11(27)14(19,20)21)9(5-7)30-12(28)15(22,23)24/h2-3,5-6H,4H2,1H3,(H,25,26)
InChIKey	ZCZJXXJMYBZLFY-UHFFFAOYSA-N
Molecular Weight	455.233 g/mol
SMILES	C(C(OC=1C(OC(C(F)(F)F)=O)=CC(=CC1)CC(NC(C(F)(F)F)=O)C)=O)(F)(F)F