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Benzeneacetic acid, 3-methoxy-4-(2,2,3,3,3-pentafluoro-1-oxopropoxy)-, methyl ester
SpectraBase Compound ID E6nZuVdQ9gY
InChI InChI=1S/C13H11F5O5/c1-21-9-5-7(6-10(19)22-2)3-4-8(9)23-11(20)12(14,15)13(16,17)18/h3-5H,6H2,1-2H3
InChIKey UUSCXIQZMFGMPH-UHFFFAOYSA-N
Mol Weight 342.22 g/mol
Molecular Formula C13H11F5O5
Exact Mass 342.052664 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 34VLb3870ZI
Name Homovanillic acid MEPFP @
Classification Biomolecule Antiparkinsonian
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Exact Mass 342.052664264 u
Formula C13H11F5O5
InChI InChI=1S/C13H11F5O5/c1-21-9-5-7(6-10(19)22-2)3-4-8(9)23-11(20)12(14,15)13(16,17)18/h3-5H,6H2,1-2H3
InChIKey UUSCXIQZMFGMPH-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 342.218 g/mol
SMILES c1(ccc(c(c1)OC)OC(C(C(F)(F)F)(F)F)=O)CC(OC)=O
SPLASH splash10-0apl-7943000000-29f2991dad60d4769e30
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
Synonyms Levodopa-M (homovanillic acid) MEPFP Phenylethanol-M (homovanillic acid) MEPFP
Technique GC/MS
Wiley ID MMPW6e_5972