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Butanoic acid, heptafluoro-, 3-(5-ethylhexahydro-1,3-dimethyl-2,4,6-trioxo-5-pyrimidinyl)-1-methylbutyl ester
SpectraBase Compound ID 3m8oDrs91zQ
InChI InChI=1S/C17H21F7N2O5/c1-6-14(10(27)25(4)13(30)26(5)11(14)28)8(2)7-9(3)31-12(29)15(18,19)16(20,21)17(22,23)24/h8-9H,6-7H2,1-5H3
InChIKey WMVPGTWSTPAZCV-UHFFFAOYSA-N
Mol Weight 466.35 g/mol
Molecular Formula C17H21F7N2O5
Exact Mass 466.133869 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 42NMxMNXrlS
Name Butanoic acid, heptafluoro-, 3-(5-ethylhexahydro-1,3-dimethyl-2,4,6-trioxo-5-pyrimidinyl)-1-methylbutyl ester
CAS Registry Number 55429-80-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21F7N2O5
InChI InChI=1S/C17H21F7N2O5/c1-6-14(10(27)25(4)13(30)26(5)11(14)28)8(2)7-9(3)31-12(29)15(18,19)16(20,21)17(22,23)24/h8-9H,6-7H2,1-5H3
InChIKey WMVPGTWSTPAZCV-UHFFFAOYSA-N
Molecular Weight 466.353 g/mol
SMILES C(C(C)C1(CC)C(=O)N(C)C(N(C1=O)C)=O)C(OC(C(C(C(F)(F)F)(F)F)(F)F)=O)C
SPLASH splash10-0159-5920000000-6935469e8e8db390831b
Source of Spectrum BA-0-159-0
Synonyms 3-(5-Ethyl-1,3-dimethyl-2,4,6-trioxohexahydro-5-pyrimidinyl)-1-methylbutyl 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)pentan-2-yl ester 4-(5-Ethyl-1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)pentan-2-yl 2,2,3,3,4,4,4-heptafluorobutanoate 4-[5-ethyl-1,3-dimethyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl]pentan-2-yl 2,2,3,3,4,4,4-heptakis(fluoranyl)butanoate [3-(5-ethyl-1,3-dimethyl-2,4,6-trioxo-hexahydropyrimidin-5-yl)-1-methyl-butyl] 2,2,3,3,4,4,4-heptafluorobutanoate
Wiley ID 61552