3-[2-(Anilinocarbonyl)-3,5-dimethylphenyl]-2,2-dimethylpropanoic acid

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Systematic / IUPAC Name: 3-[3,5-Dimethyl-2-(phenylcarbamoyl)phenyl]-2,2-dimethylpropanoic acid

ID: Reference4373

Other Names: Benzenepropanoic acid, α,α,3,5-tetramethyl-2-[(phenylamino)carbonyl]-

Formula: C20H23NO3

Spectral Data

3-[2-(Anilinocarbonyl)-3,5-dimethylphenyl]-2,2-dimethylpropanoic acid 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 117
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/30/2016 6:49:51 AM
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Identificators

InChI InChI=1S/C20H23NO3/c1-13-10-14(2)17(15(11-13)12-20(3,4)19(23)24)18(22)21-16-8-6-5-7-9-16/h5-11H,12H2,1-4H3,(H,21,22)(H,23,24)
InChI Key YCJSLNUSGGTXOE-UHFFFAOYSA-N
Canonical SMILES CC1=CC(=C(C(=C1)CC(C)(C)C(=O)O)C(=O)NC2=CC=CC=C2)C
CAS
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Other Names Benzenepropanoic acid, α,α,3,5-tetramethyl-2-[(phenylamino)carbonyl]-

In Other Databases

PubChem 2803729
ChemSpider 2082347
ChEMBL CHEMBL1562206