Phenolphthalin

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Systematic / IUPAC Name: 2-[Bis(4-hydroxyphenyl)methyl]benzoic acid

ID: Reference2890

Other Names: Darmol;
α,α-Bis(4-hydroxyphenyl)-o-toluic acid;
Benzoic acid, 2-[bis(4-hydroxyphenyl)methyl]-

Formula: C20H16O4

Spectral Data

Phenolphthalin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 99
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 7/7/2015 8:56:04 AM
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Identificators

InChI InChI=1S/C20H16O4/c21-15-9-5-13(6-10-15)19(14-7-11-16(22)12-8-14)17-3-1-2-4-18(17)20(23)24/h1-12,19,21-22H,(H,23,24)
InChI Key FFFPYJTVNSSLBQ-UHFFFAOYSA-N
Canonical SMILES C1=CC=C(C(=C1)C(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)C(=O)O
CAS 81903
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Other Names Darmol;
α,α-Bis(4-hydroxyphenyl)-o-toluic acid;
Benzoic acid, 2-[bis(4-hydroxyphenyl)methyl]-

In Other Databases

PubChem 66494
KEGG C14223
ChEMBL CHEMBL1528560
ChemIDPlus 000081903
ChemSpider 59865
Wikipedia Phenolphthalin (DE)