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Diphenoxyacetic acid
SpectraBase Compound ID 1js3j4w9mni
InChI InChI=1S/C14H12O4/c15-13(16)14(17-11-7-3-1-4-8-11)18-12-9-5-2-6-10-12/h1-10,14H,(H,15,16)
InChIKey BWRPEDIXOHZKFD-UHFFFAOYSA-N
Mol Weight 244.25 g/mol
Molecular Formula C14H12O4
Exact Mass 244.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5PweUEX4k0X
Name Diphenoxyacetic acid
CAS Registry Number 729-89-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12O4
InChI InChI=1S/C14H12O4/c15-13(16)14(17-11-7-3-1-4-8-11)18-12-9-5-2-6-10-12/h1-10,14H,(H,15,16)
InChIKey BWRPEDIXOHZKFD-UHFFFAOYSA-N
Molecular Weight 244.246 g/mol
SMILES OC(C(Oc1ccccc1)Oc1ccccc1)=O
SPLASH splash10-0007-9400000000-6a4bf2328b6ea65c0661
Source of Spectrum RB-1982-11831-0
Synonyms 2,2-Diphenoxyacetic acid 2,2-Diphenoxyethanoic acid
Wiley ID 1247041