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Butyl 2-amino-6-[bis(trifluoroacetyl)amino]-6-(4,6-dimethyl-2-pyrimidinyl)hexanoate
SpectraBase Compound ID DR3Hn75iPiU
InChI InChI=1S/C20H26F6N4O4/c1-4-5-9-34-16(31)13(27)7-6-8-14(15-28-11(2)10-12(3)29-15)30(17(32)19(21,22)23)18(33)20(24,25)26/h10,13-14H,4-9,27H2,1-3H3
InChIKey MLBBTGWWIVOGOY-UHFFFAOYSA-N
Mol Weight 500.44 g/mol
Molecular Formula C20H26F6N4O4
Exact Mass 500.185824 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ECC3aLeTozs
Name Butyl 2-amino-6-[bis(trifluoroacetyl)amino]-6-(4,6-dimethyl-2-pyrimidinyl)hexanoate
CAS Registry Number 68671-28-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26F6N4O4
InChI InChI=1S/C20H26F6N4O4/c1-4-5-9-34-16(31)13(27)7-6-8-14(15-28-11(2)10-12(3)29-15)30(17(32)19(21,22)23)18(33)20(24,25)26/h10,13-14H,4-9,27H2,1-3H3
InChIKey MLBBTGWWIVOGOY-UHFFFAOYSA-N
Molecular Weight 500.442 g/mol
SMILES NC(CCCC(c1nc(C)cc(C)n1)N(C(C(F)(F)F)=O)C(C(F)(F)F)=O)C(=O)OCCCC
SPLASH splash10-0uk9-0940200000-06ce7a8c371d7187f194
Source of Spectrum W5-1989-7213-1
Synonyms 2-Amino-6-[bis(2,2,2-trifluoro-1-oxoethyl)amino]-6-(4,6-dimethyl-2-pyrimidinyl)hexanoic acid butyl ester 2-Amino-6-[bis(2,2,2-trifluoroacetyl)amino]-6-(4,6-dimethylpyrimidin-2-yl)hexanoic acid butyl ester Butyl 2-amino-6-[bis(2,2,2-trifluoroacetyl)amino]-6-(4,6-dimethylpyrimidin-2-yl)hexanoate Butyl 2-azanyl-6-[bis[2,2,2-tris(fluoranyl)ethanoyl]amino]-6-(4,6-dimethylpyrimidin-2-yl)hexanoate N(6)-(4,6-Dimethylpyrimidin-2-yl)-N(2),N(6)-bis(trifluoroacetyl)lysine butyl ester
Wiley ID 1398795