5-Amino-3-(4-methoxyphenyl)-5-oxopentanoic acid

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Systematic / IUPAC Name: 5-Amino-3-(4-methoxyphenyl)-5-oxopentanoic acid

ID: Reference8706

Other Names: Benzenepropanoic acid, β-(2-amino-2-oxoethyl)-4-methoxy-

Formula: C12H15NO4

Spectral Data

5-Amino-3-(4-methoxyphenyl)-5-oxopentanoic 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 193
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/8/2019 11:22:10 AM
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Identificators

InChI InChI=1S/C12H15NO4/c1-17-10-4-2-8(3-5-10)9(6-11(13)14)7-12(15)16/h2-5,9H,6-7H2,1H3,(H2,13,14)(H,15,16)
InChI Key TWOBZOCYRADJOC-UHFFFAOYSA-N
Canonical SMILES COC1=CC=C(C=C1)C(CC(=O)N)CC(=O)O
CAS 92410394
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Other Names Benzenepropanoic acid, β-(2-amino-2-oxoethyl)-4-methoxy-

In Other Databases

ChemSpider 2082317
PubChem 2803694