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Acetic acid, trifluoro-, 2-[acetyl(trifluoroacetyl)amino]-1-[3-methoxy-4-[(trifluoroacetyl)oxy]phenyl]ethyl ester, (.+-.)-
SpectraBase Compound ID 74VdgsQSCUU
InChI InChI=1S/C17H12F9NO7/c1-7(28)27(12(29)15(18,19)20)6-11(34-14(31)17(24,25)26)8-3-4-9(10(5-8)32-2)33-13(30)16(21,22)23/h3-5,11H,6H2,1-2H3
InChIKey XPXNQJAHJGEZDA-UHFFFAOYSA-N
Mol Weight 513.27 g/mol
Molecular Formula C17H12F9NO7
Exact Mass 513.047005 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HQR62NlBFt8
Name Acetic acid, trifluoro-, 2-[acetyl(trifluoroacetyl)amino]-1-[3-methoxy-4-[(trifluoroacetyl)oxy]phenyl]ethyl ester, (.+-.)-
CAS Registry Number 93667-15-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H12F9NO7
InChI InChI=1S/C17H12F9NO7/c1-7(28)27(12(29)15(18,19)20)6-11(34-14(31)17(24,25)26)8-3-4-9(10(5-8)32-2)33-13(30)16(21,22)23/h3-5,11H,6H2,1-2H3
InChIKey XPXNQJAHJGEZDA-UHFFFAOYSA-N
Molecular Weight 513.269 g/mol
SMILES C(N(CC(OC(C(F)(F)F)=O)c1cc(OC)c(OC(C(F)(F)F)=O)cc1)C(=O)C)(C(F)(F)F)=O
SPLASH splash10-0a4i-3029000000-423d7b9e4c125ad80797
Source of Spectrum KO-11-444-7
Synonyms 2-(3-Methoxy-4-trifluoroacetoxyphenyl)-2-(trifluoroacetyl)-N-acetyl-N-trifluoroacetyl-ethylamine 2-[acetyl(trifluoroacetyl)amino]-1-{3-methoxy-4-[(trifluoroacetyl)oxy]phenyl}ethyl trifluoroacetate
Wiley ID 1400946