For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

2-Amino-4-benzylpentanedioic Acid

View entire compound with spectra: 1 MS (GC)

2-Amino-4-benzylpentanedioic Acid
SpectraBase Compound ID J2NW4TL141y
InChI InChI=1S/C12H15NO4/c13-10(12(16)17)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7,13H2,(H,14,15)(H,16,17)
InChIKey ATCFYQUZTYQTJN-UHFFFAOYSA-N
Mol Weight 237.25 g/mol
Molecular Formula C12H15NO4
Exact Mass 237.100108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 4IAKFamO4yg
Name 2-Amino-4-benzylpentanedioic Acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15NO4
InChI InChI=1S/C12H15NO4/c13-10(12(16)17)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7,13H2,(H,14,15)(H,16,17)
InChIKey ATCFYQUZTYQTJN-UHFFFAOYSA-N
Molecular Weight 237.255 g/mol
SMILES OC(C(CC(C(=O)O)Cc1ccccc1)N)=O
SPLASH splash10-00r6-8970000000-dbc27fcb96285700d52f
Source of Spectrum H-2005-2524-10
Synonyms 2-Amino-4-(phenylmethyl)pentanedioic acid 2-Amino-4-benzyl-glutaric acid 2-Azanyl-4-(phenylmethyl)pentanedioic acid
Wiley ID 1562910