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Diphenyl acetic acid
SpectraBase Compound ID 3BISBmXGn3t
InChI InChI=1S/C14H12O2/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H,15,16)
InChIKey PYHXGXCGESYPCW-UHFFFAOYSA-N
Mol Weight 212.25 g/mol
Molecular Formula C14H12O2
Exact Mass 212.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DmW0ocU4Dke
Name Diphenylacetic acid
CAS Registry Number 117-34-0
Classification Chemical
Comments Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found)
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 212.083729624 u
Formula C14H12O2
InChI InChI=1S/C14H12O2/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H,15,16)
InChIKey PYHXGXCGESYPCW-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 212.248 g/mol
Nominal Mass 212 u
Quality 959
Retention Index 1577
SMILES OC(C(C=1C=CC=CC1)C1=CC=CC=C1)=O
SPLASH splash10-014i-0910000000-9fe85e2904e9ee4db271
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms diphenylacetic acid
Technique GC/MS
Wiley ID DD2024_032639