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Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, 4-(5-ethylhexahydro-1,3-dimethyl-2,4,6-trioxo-5-pyrimidinyl)phenyl ester
SpectraBase Compound ID 7EieDVQGK4i
InChI InChI=1S/C18H15F7N2O5/c1-4-15(11(28)26(2)14(31)27(3)12(15)29)9-5-7-10(8-6-9)32-13(30)16(19,20)17(21,22)18(23,24)25/h5-8H,4H2,1-3H3
InChIKey CRFJBIUIUBLLIQ-UHFFFAOYSA-N
Mol Weight 472.32 g/mol
Molecular Formula C18H15F7N2O5
Exact Mass 472.086919 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4jSDRMoVWM5
Name Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, 4-(5-ethylhexahydro-1,3-dimethyl-2,4,6-trioxo-5-pyrimidinyl)phenyl ester
CAS Registry Number 55429-88-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H15F7N2O5
InChI InChI=1S/C18H15F7N2O5/c1-4-15(11(28)26(2)14(31)27(3)12(15)29)9-5-7-10(8-6-9)32-13(30)16(19,20)17(21,22)18(23,24)25/h5-8H,4H2,1-3H3
InChIKey CRFJBIUIUBLLIQ-UHFFFAOYSA-N
Molecular Weight 472.316 g/mol
SMILES CCC1(c2ccc(cc2)OC(C(C(C(F)(F)F)(F)F)(F)F)=O)C(N(C)C(N(C)C1=O)=O)=O
SPLASH splash10-000x-2515900000-f00cf240b653573bfb60
Source of Spectrum JZ-1992-5368-0
Synonyms 4-(5-Ethyl-1,3-dimethyl-2,4,6-trioxohexahydro-5-pyrimidinyl)phenyl 2,2,3,3,4,4,4-heptafluorobutanoate 2,2,3,3,4,4,4-heptafluorobutanoic acid [4-(5-ethyl-1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)phenyl] ester [4-(5-ethyl-1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)phenyl] 2,2,3,3,4,4,4-heptafluorobutanoate [4-(5-ethyl-1,3-dimethyl-2,4,6-trioxo-hexahydropyrimidin-5-yl)phenyl] 2,2,3,3,4,4,4-heptafluorobutanoate [4-[5-ethyl-1,3-dimethyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl]phenyl] 2,2,3,3,4,4,4-heptakis(fluoranyl)butanoate
Wiley ID 1393214