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(1,3-Dioxo-3,4-dihydro-2(1H)-isoquinolinyl)acetic acid
SpectraBase Compound ID 8Ee15VGWzAY
InChI InChI=1S/C11H9NO4/c13-9-5-7-3-1-2-4-8(7)11(16)12(9)6-10(14)15/h1-4H,5-6H2,(H,14,15)
InChIKey PNBCSFDZKNXAAK-UHFFFAOYSA-N
Mol Weight 219.2 g/mol
Molecular Formula C11H9NO4
Exact Mass 219.053158 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CLdhvfBQEuS
Name (1,3-Dioxo-3,4-dihydro-2(1H)-isoquinolinyl)acetic acid
CAS Registry Number 52208-61-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H9NO4
InChI InChI=1S/C11H9NO4/c13-9-5-7-3-1-2-4-8(7)11(16)12(9)6-10(14)15/h1-4H,5-6H2,(H,14,15)
InChIKey PNBCSFDZKNXAAK-UHFFFAOYSA-N
Molecular Weight 219.196 g/mol
SMILES OC(CN1C(Cc2ccccc2C1=O)=O)=O
SPLASH splash10-00mn-6900000000-49c2bd5a45f3aa9cd244
Synonyms 2(1H)-Isoquinolineacetic acid, 3,4-dihydro-1,3-dioxo- 2-(1,3-diketo-4H-isoquinolin-2-yl)acetic acid 2-(1,3-dioxo-4H-isoquinolin-2-yl)acetic acid 2-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]ethanoic acid
Wiley ID 1486911