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4-Hydroxyphenylacetic acid MEHFB    @
SpectraBase Compound ID 4YPaLq58po0
InChI InChI=1S/C13H9F7O4/c1-23-9(21)6-7-2-4-8(5-3-7)24-10(22)11(14,15)12(16,17)13(18,19)20/h2-5H,6H2,1H3
InChIKey NZZPECSFHOMKBN-UHFFFAOYSA-N
Mol Weight 362.2 g/mol
Molecular Formula C13H9F7O4
Exact Mass 362.038906 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3D1gVJf3FZj
Name 4-Hydroxyphenylacetic acid MEHFB @
Classification Biomolecule Disinfectant
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 362.038905907 u
Formula C13H9F7O4
InChI InChI=1S/C13H9F7O4/c1-23-9(21)6-7-2-4-8(5-3-7)24-10(22)11(14,15)12(16,17)13(18,19)20/h2-5H,6H2,1H3
InChIKey NZZPECSFHOMKBN-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 362.200 g/mol
SMILES c1(ccc(cc1)OC(C(C(C(F)(F)F)(F)F)(F)F)=O)CC(OC)=O
SPLASH splash10-0v00-9314000000-aeff434460826662dbbf
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) MEHFB
Technique GC/MS
Wiley ID MMPW6e_5957