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3-(1-Methyl-5,10-dioxo-5,10-dihydropyrrolo[1,2-b]isoquinolin-3-yl)propionic acid, methyl ester
SpectraBase Compound ID JDyCwNTFNRf
InChI InChI=1S/C17H15NO4/c1-10-9-11(7-8-14(19)22-2)18-15(10)16(20)12-5-3-4-6-13(12)17(18)21/h3-6,9H,7-8H2,1-2H3
InChIKey IKXJWEFFHJNRLX-UHFFFAOYSA-N
Mol Weight 297.31 g/mol
Molecular Formula C17H15NO4
Exact Mass 297.100108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C3fz5wRXkNw
Name 3-(1-Methyl-5,10-dioxo-5,10-dihydropyrrolo[1,2-b]isoquinolin-3-yl)propionic acid, methyl ester
CAS Registry Number 118718-69-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H15NO4
InChI InChI=1S/C17H15NO4/c1-10-9-11(7-8-14(19)22-2)18-15(10)16(20)12-5-3-4-6-13(12)17(18)21/h3-6,9H,7-8H2,1-2H3
InChIKey IKXJWEFFHJNRLX-UHFFFAOYSA-N
Molecular Weight 297.310 g/mol
SMILES C(OC)(CCc1[n]2c(c(c1)C)C(=O)c1ccccc1C2=O)=O
SPLASH splash10-000i-0190000000-661cc34ac6a388ebe6ba
Synonyms 3-(1-Methyl-5,10-dioxo-3-pyrrolo[1,2-b]isoquinolinyl)propanoic acid methyl ester 3-(5,10-diketo-1-methyl-pyrrol[1,2-b]isoquinolin-3-yl)propionic acid methyl ester Methyl 3-(1-methyl-5,10-dioxo-5,10-dihydropyrrolo[1,2-b]isoquinolin-3-yl)propanoate Methyl 3-(1-methyl-5,10-dioxo-pyrrolo[1,2-b]isoquinolin-3-yl)propanoate Methyl 3-[1-methyl-5,10-bis(oxidanylidene)pyrrolo[1,2-b]isoquinolin-3-yl]propanoate
Wiley ID 1480247