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N-(2',2'-Diethoxy-1'-ethyl)-7-[(pentafluorophenyl)oxycarbonyl]-1-heptanoyl-amide
SpectraBase Compound ID HQOPNST61bX
InChI InChI=1S/C20H26F5NO5/c1-3-29-14(30-4-2)11-26-12(27)9-7-5-6-8-10-13(28)31-20-18(24)16(22)15(21)17(23)19(20)25/h14H,3-11H2,1-2H3,(H,26,27)
InChIKey IYKFVGWLXFILIE-UHFFFAOYSA-N
Mol Weight 455.42 g/mol
Molecular Formula C20H26F5NO5
Exact Mass 455.173114 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LthNy3lP1xO
Name N-(2',2'-Diethoxy-1'-ethyl)-7-[(pentafluorophenyl)oxycarbonyl]-1-heptanoyl-amide
Comments Less than 3 mono-isotopic peaks
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Formula C20H26F5NO5
InChI InChI=1S/C20H26F5NO5/c1-3-29-14(30-4-2)11-26-12(27)9-7-5-6-8-10-13(28)31-20-18(24)16(22)15(21)17(23)19(20)25/h14H,3-11H2,1-2H3,(H,26,27)
InChIKey IYKFVGWLXFILIE-UHFFFAOYSA-N
Molecular Weight 455.422 g/mol
SMILES N(C(CCCCCCC(Oc1c(c(F)c(c(c1F)F)F)F)=O)=O)CC(OCC)OCC
SPLASH splash10-0udi-0900000000-ca3fc282c2ac4cf8cc8f
Source of Spectrum D8-328-91-11
Wiley ID 1515610