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2-([(3-Carboxypropyl)amino]carbonyl)benzoic acid
SpectraBase Compound ID BDkZYbdsHxk
InChI InChI=1S/C12H13NO5/c14-10(15)6-3-7-13-11(16)8-4-1-2-5-9(8)12(17)18/h1-2,4-5H,3,6-7H2,(H,13,16)(H,14,15)(H,17,18)
InChIKey LENIZMSGCFPTBO-UHFFFAOYSA-N
Mol Weight 251.24 g/mol
Molecular Formula C12H13NO5
Exact Mass 251.079373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 94llT16fOo0
Name 2-([(3-Carboxypropyl)amino]carbonyl)benzoic acid
Alternate Name(s) 2-[(4-oxidanyl-4-oxidanylidene-butyl)carbamoyl]benzoic acid 4-(2-Carboxybenzamido)butyric acid Benzoic acid, 2-(((3-carboxypropyl)amino)carbonyl)- P-GABA 2-[(3-carboxypropylamino)-oxomethyl]benzoic acid 2-((3-carboxypropyl)carbamoyl)benzoic acid
CAS Registry Number 3130-76-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO5
InChI InChI=1S/C12H13NO5/c14-10(15)6-3-7-13-11(16)8-4-1-2-5-9(8)12(17)18/h1-2,4-5H,3,6-7H2,(H,13,16)(H,14,15)(H,17,18)
InChIKey LENIZMSGCFPTBO-UHFFFAOYSA-N
Molecular Weight 251.238 g/mol
SMILES N(C(c1ccccc1C(=O)O)=O)CCCC(=O)O
SPLASH splash10-0it9-5900000000-3135674642238387b6ad
Wiley ID 1470092