2-(Acetylamino)-4-phenylbutanoic acid

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Systematic / IUPAC Name: 2-Acetamido-4-phenylbutanoic acid

ID: Reference4326

Other Names: Benzenebutanoic acid, α-(acetylamino)-

Formula: C12H15NO3

Spectral Data

2-(Acetylamino)-4-phenylbutanoic 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 2
No. of Spectra 184
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/22/2016 8:42:10 AM
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Identificators

InChI InChI=1S/C12H15NO3/c1-9(14)13-11(12(15)16)8-7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,13,14)(H,15,16)
InChI Key CNQZAOFOKXXEOB-UHFFFAOYSA-N
Canonical SMILES CC(=O)NC(CCC1=CC=CC=C1)C(=O)O
CAS
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Other Names Benzenebutanoic acid, α-(acetylamino)-

In Other Databases

PubChem 227943
ChemSpider 198342