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Nonivamide PFP
SpectraBase Compound ID 5I5oJ7wBfuS
InChI InChI=1S/C20H26F5NO4/c1-3-4-5-6-7-8-9-17(27)26-13-14-10-11-15(16(12-14)29-2)30-18(28)19(21,22)20(23,24)25/h10-12H,3-9,13H2,1-2H3,(H,26,27)
InChIKey AFYJTRQYGHORMP-UHFFFAOYSA-N
Mol Weight 439.42 g/mol
Molecular Formula C20H26F5NO4
Exact Mass 439.178199 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I1Mnv3fkmEY
Name Nonivamide PFP
Classification Rubefacient
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Exact Mass 439.178199132 u
Formula C20H26F5NO4
InChI InChI=1S/C20H26F5NO4/c1-3-4-5-6-7-8-9-17(27)26-13-14-10-11-15(16(12-14)29-2)30-18(28)19(21,22)20(23,24)25/h10-12H,3-9,13H2,1-2H3,(H,26,27)
InChIKey AFYJTRQYGHORMP-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 439.423 g/mol
SMILES C(C(Oc1c(cc(cc1)CNC(=O)CCCCCCCC)OC)=O)(C(F)(F)F)(F)F
SPLASH splash10-0532-6793000000-0563b3f89c5786c17789
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_5899