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Butanoic acid, heptafluoro-, 1-[[hexahydro-1,3-dimethyl-5-(1-methylbutyl)-2,4,6-trioxo-5-pyrimidinyl]methyl]-1,2-ethanediyl ester

View entire compound with spectra: 1 MS (GC)

Butanoic acid, heptafluoro-, 1-[[hexahydro-1,3-dimethyl-5-(1-methylbutyl)-2,4,6-trioxo-5-pyrimidinyl]methyl]-1,2-ethanediyl ester
SpectraBase Compound ID 417m6hb9y00
InChI InChI=1S/C22H22F14N2O7/c1-5-6-9(2)16(11(39)37(3)15(43)38(4)12(16)40)7-10(45-14(42)18(25,26)20(29,30)22(34,35)36)8-44-13(41)17(23,24)19(27,28)21(31,32)33/h9-10H,5-8H2,1-4H3
InChIKey RIDXVHFWBULNNE-UHFFFAOYSA-N
Mol Weight 692.4 g/mol
Molecular Formula C22H22F14N2O7
Exact Mass 692.120345 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LuHNSZpVka3
Name Butanoic acid, heptafluoro-, 1-[[hexahydro-1,3-dimethyl-5-(1-methylbutyl)-2,4,6-trioxo-5-pyrimidinyl]methyl]-1,2-ethanediyl ester
Alternate Name(s) 2-[1,3-Dimethyl-5-(1-methylbutyl)-2,4,6-trioxohexahydro-5-pyrimidinyl]-1-([(2,2,3,3,4,4,4-heptafluorobutanoyl)oxy]methyl)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate 2,2,3,3,4,4,4-heptafluorobutanoic acid [3-(1,3-dimethyl-2,4,6-trioxo-5-pentan-2-yl-1,3-diazinan-5-yl)-2-(2,2,3,3,4,4,4-heptafluoro-1-oxobutoxy)propyl] ester [3-(1,3-dimethyl-2,4,6-trioxo-5-pentan-2-yl-1,3-diazinan-5-yl)-2-(2,2,3,3,4,4,4-heptafluorobutanoyloxy)propyl] 2,2,3,3,4,4,4-heptafluorobutanoate [3-[1,3-dimethyl-5-(1-methylbutyl)-2,4,6-trioxo-hexahydropyrimidin-5-yl]-2-(2,2,3,3,4,4,4-heptafluorobutanoyloxy)propyl] 2,2,3,3,4,4,4-heptafluorobutanoate [3-[1,3-dimethyl-2,4,6-tris(oxidanylidene)-5-pentan-2-yl-1,3-diazinan-5-yl]-2-[2,2,3,3,4,4,4-heptakis(fluoranyl)butanoyloxy]propyl] 2,2,3,3,4,4,4-heptakis(fluoranyl)butanoate
CAS Registry Number 55538-88-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22F14N2O7
InChI InChI=1S/C22H22F14N2O7/c1-5-6-9(2)16(11(39)37(3)15(43)38(4)12(16)40)7-10(45-14(42)18(25,26)20(29,30)22(34,35)36)8-44-13(41)17(23,24)19(27,28)21(31,32)33/h9-10H,5-8H2,1-4H3
InChIKey RIDXVHFWBULNNE-UHFFFAOYSA-N
Molecular Weight 692.403 g/mol
SMILES C(CC1(C(CCC)C)C(=O)N(C)C(N(C1=O)C)=O)(OC(C(C(C(F)(F)F)(F)F)(F)F)=O)COC(C(C(C(F)(F)F)(F)F)(F)F)=O
SPLASH splash10-00kf-4900100000-0c2d87c843ac27940229
Source of Spectrum BA-0-174-0
Wiley ID 66219