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5-Undecenedioic acid, 2,10-bis[(trifluoroacetyl)amino]-5-[[(trifluoroacetyl)oxy]methyl]-, dimethyl ester
SpectraBase Compound ID KSMVk5rQZQo
InChI InChI=1S/C20H23F9N2O8/c1-37-13(32)11(30-15(34)18(21,22)23)6-4-3-5-10(9-39-17(36)20(27,28)29)7-8-12(14(33)38-2)31-16(35)19(24,25)26/h5,11-12H,3-4,6-9H2,1-2H3,(H,30,34)(H,31,35)/b10-5-
InChIKey BNJGRJKUIBMYRP-YHYXMXQVSA-N
Mol Weight 590.4 g/mol
Molecular Formula C20H23F9N2O8
Exact Mass 590.131069 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3bcVa7nqfQ
Name 5-Undecenedioic acid, 2,10-bis[(trifluoroacetyl)amino]-5-[[(trifluoroacetyl)oxy]methyl]-, dimethyl ester
CAS Registry Number 56196-63-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H23F9N2O8
InChI InChI=1S/C20H23F9N2O8/c1-37-13(32)11(30-15(34)18(21,22)23)6-4-3-5-10(9-39-17(36)20(27,28)29)7-8-12(14(33)38-2)31-16(35)19(24,25)26/h5,11-12H,3-4,6-9H2,1-2H3,(H,30,34)(H,31,35)/b10-5-
InChIKey BNJGRJKUIBMYRP-YHYXMXQVSA-N
Molecular Weight 590.396 g/mol
SMILES N(C(CC\C(=C\CCCC(C(OC)=O)NC(=O)C(F)(F)F)COC(=O)C(F)(F)F)C(=O)OC)C(=O)C(F)(F)F
SPLASH splash10-0hh9-0009200000-3ff0dcc994d79e3926ba
Source of Spectrum AK-135-660-2
Synonyms Dimethyl (5Z)-2,10-bis[(trifluoroacetyl)amino]-5-([(trifluoroacetyl)oxy]methyl)-5-undecenedioate (Z)-2,10-bis[(2,2,2-trifluoroacetyl)amino]-5-[(2,2,2-trifluoroacetyl)oxymethyl]undec-5-enedioic acid dimethyl ester (Z)-5-[(2,2,2-trifluoro-1-oxoethoxy)methyl]-2,10-bis[(2,2,2-trifluoro-1-oxoethyl)amino]-5-undecenedioic acid dimethyl ester Dimethyl (Z)-2,10-bis[(2,2,2-trifluoroacetyl)amino]-5-[(2,2,2-trifluoroacetyl)oxymethyl]undec-5-enedioate Dimethyl (Z)-2,10-bis[2,2,2-tris(fluoranyl)ethanoylamino]-5-[2,2,2-tris(fluoranyl)ethanoyloxymethyl]undec-5-enedioate
Wiley ID 1409281