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4-Hydroxyphenylacetic acid 2PFP     @
SpectraBase Compound ID L5ryAPFQlkM
InChI InChI=1S/C14H8F10O4/c15-11(16,13(19,20)21)6-27-9(25)5-7-1-3-8(4-2-7)28-10(26)12(17,18)14(22,23)24/h1-4H,5-6H2
InChIKey BKOXUKKLOPUDFD-UHFFFAOYSA-N
Mol Weight 430.2 g/mol
Molecular Formula C14H8F10O4
Exact Mass 430.02629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4uzSkU4s3oj
Name 4-Hydroxyphenylacetic acid 2PFP @
Classification Biomolecule Disinfectant
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Exact Mass 430.026290364 u
Formula C14H8F10O4
InChI InChI=1S/C14H8F10O4/c15-11(16,13(19,20)21)6-27-9(25)5-7-1-3-8(4-2-7)28-10(26)12(17,18)14(22,23)24/h1-4H,5-6H2
InChIKey BKOXUKKLOPUDFD-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 430.198 g/mol
SMILES C(C(Oc1ccc(CC(OCC(C(F)(F)F)(F)F)=O)cc1)=O)(C(F)(F)F)(F)F
SPLASH splash10-0uxr-9460100000-b06b835196bcdbb50687
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 Phenylethanol-M (HO-phenylacetic acid) 2PFP
Technique GC/MS
Wiley ID MMPW6e_5675