3-[3,5-Dimethyl-2-(morpholinocarbonyl)phenyl]-2,2-dimethylpropanoic acid

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Systematic / IUPAC Name: 3-[3,5-Dimethyl-2-(4-morpholinylcarbonyl)phenyl]-2,2-dimethylpropanoic acid

ID: Reference4379

Other Names: Benzenepropanoic acid, α,α,3,5-tetramethyl-2-(4-morpholinylcarbonyl)-

Formula: C18H25NO4

Spectral Data

3-[3,5-Dimethyl-2-(morpholinocarbonyl)phenyl]-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 82
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/30/2016 11:44:13 AM
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Identificators

InChI InChI=1S/C18H25NO4/c1-12-9-13(2)15(16(20)19-5-7-23-8-6-19)14(10-12)11-18(3,4)17(21)22/h9-10H,5-8,11H2,1-4H3,(H,21,22)
InChI Key VXBDLZCHWKAEMS-UHFFFAOYSA-N
Canonical SMILES CC1=CC(=C(C(=C1)CC(C)(C)C(=O)O)C(=O)N2CCOCC2)C
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Other Names Benzenepropanoic acid, α,α,3,5-tetramethyl-2-(4-morpholinylcarbonyl)-

In Other Databases

ChemSpider 2082658
PubChem 2804103