L-Aspartic acid β-benzyl ester

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Systematic / IUPAC Name: (2S)-2-Amino-4-(benzyloxy)-4-oxobutanoic acid

ID: Reference1241

Other Names: L-Aspartic acid 4-benzyl ester;
L-Aspartic acid β-benzyl ester;
β-Benzyl L-aspartate;
L-Aspartic acid, 4-(phenylmethyl) ester;
(2S)-2-Amino-3-[benzyloxycarbonyl]propanoic acid ; more

Formula: C11H13NO4

Spectral Data

L-Aspartic acid β-benzyl ester 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 Orbitrap Elite; Q Exactive Orbitrap
No. of Spectral Trees 3
No. of Spectra 915
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI; APCI; NSI
Analyzers IT; FT
Last Modification 12/4/2014 2:05:53 PM
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Identificators

InChI InChI=1S/C11H13NO4/c12-9(11(14)15)6-10(13)16-7-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,14,15)/t9-/m0/s1
InChI Key VGALFAWDSNRXJK-VIFPVBQESA-N
Canonical SMILES
CAS 2177631
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Other Names L-Aspartic acid 4-benzyl ester;
L-Aspartic acid β-benzyl ester;
β-Benzyl L-aspartate;
L-Aspartic acid, 4-(phenylmethyl) ester;
(2S)-2-Amino-3-[benzyloxycarbonyl]propanoic acid;
4-Benzyl L-aspartate;
Benzyl hydrogen β-L-aspartate

In Other Databases

ChemSpider 91424
ChemIDPlus 002177631; 025248991
PubChem 101186