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3-(5-Oxo-5-phenylpentanoylamino)-benzoic acid
SpectraBase Compound ID GjGpARm1qL5
InChI InChI=1S/C18H17NO4/c20-16(13-6-2-1-3-7-13)10-5-11-17(21)19-15-9-4-8-14(12-15)18(22)23/h1-4,6-9,12H,5,10-11H2,(H,19,21)(H,22,23)
InChIKey ZIXOLBXYSIGWBC-UHFFFAOYSA-N
Mol Weight 311.34 g/mol
Molecular Formula C18H17NO4
Exact Mass 311.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FMjqGjp7dnO
Name 3-(5-Oxo-5-phenylpentanoylamino)-benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17NO4
InChI InChI=1S/C18H17NO4/c20-16(13-6-2-1-3-7-13)10-5-11-17(21)19-15-9-4-8-14(12-15)18(22)23/h1-4,6-9,12H,5,10-11H2,(H,19,21)(H,22,23)
InChIKey ZIXOLBXYSIGWBC-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.201100455
Molecular Weight 311.337 g/mol
SMILES N(C(CCCC(c1ccccc1)=O)=O)c1cc(C(=O)O)ccc1
SPLASH splash10-0a4i-9000000000-c429eb52228916c26ba7
Source of Spectrum APC-345-662-8c
Synonyms 3-(5-oxo-5-phenylpentanamido)benzoic acid 3-[(1,5-dioxo-5-phenylpentyl)amino]benzoic acid 3-[(5-oxo-5-phenylpentanoyl)amino]benzoic acid 3-[(5-oxo-5-phenyl-pentanoyl)amino]benzoic acid 3-[(5-oxidanylidene-5-phenyl-pentanoyl)amino]benzoic acid
Wiley ID 1769415