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1-(2',5'-Dimethoxy-3',4',6'-trimethylphenyl)-3-methyl-3-(1'-phenyl-2'-trifluoroacetamido-1'-propyloxy)-1-pentanal
SpectraBase Compound ID CrH9U7Jlw1r
InChI InChI=1S/C28H36F3NO5/c1-9-27(6,15-21(33)22-18(4)23(35-7)16(2)17(3)24(22)36-8)37-25(20-13-11-10-12-14-20)19(5)32-26(34)28(29,30)31/h10-14,19,25H,9,15H2,1-8H3,(H,32,34)
InChIKey IJZWMKZLXZZHRX-UHFFFAOYSA-N
Mol Weight 523.6 g/mol
Molecular Formula C28H36F3NO5
Exact Mass 523.254558 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H4JZs1jKZi9
Name 1-(2',5'-Dimethoxy-3',4',6'-trimethylphenyl)-3-methyl-3-(1'-phenyl-2'-trifluoroacetamido-1'-propyloxy)-1-pentanal
Comments Less than 3 mono-isotopic peaks
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Formula C28H36F3NO5
InChI InChI=1S/C28H36F3NO5/c1-9-27(6,15-21(33)22-18(4)23(35-7)16(2)17(3)24(22)36-8)37-25(20-13-11-10-12-14-20)19(5)32-26(34)28(29,30)31/h10-14,19,25H,9,15H2,1-8H3,(H,32,34)
InChIKey IJZWMKZLXZZHRX-UHFFFAOYSA-N
Molecular Weight 523.593 g/mol
SMILES N(C(C(F)(F)F)=O)C(C(OC(CC(c1c(c(C)c(c(c1C)OC)C)OC)=O)(CC)C)c1ccccc1)C
SPLASH splash10-006x-0900050000-83f7f79435f1dd787c42
Source of Spectrum U1-1999-1083-27
Synonyms N-{2-[3-(2,5-dimethoxy-3,4,6-trimethylphenyl)-1-ethyl-1-methyl-3-oxopropoxy]-1-methyl-2-phenylethyl}-2,2,2-trifluoroacetamide
Wiley ID 752864