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2-Bromo-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid
SpectraBase Compound ID JDz7sxga0fg
InChI InChI=1S/C12H10BrNO4/c13-9(12(17)18)5-6-14-10(15)7-3-1-2-4-8(7)11(14)16/h1-4,9H,5-6H2,(H,17,18)
InChIKey PALKPTNUIUCQQI-UHFFFAOYSA-N
Mol Weight 312.12 g/mol
Molecular Formula C12H10BrNO4
Exact Mass 310.979321 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9hCiBx89CYG
Name 2H-ISOINDOLE-2-BUTANOIC ACID, alpha-BROMO-1,3-DIHYDRO-1,3-DIOXO-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H10NO4Br
InChI InChI=1S/C12H10BrNO4/c13-9(12(17)18)5-6-14-10(15)7-3-1-2-4-8(7)11(14)16/h1-4,9H,5-6H2,(H,17,18)
InChIKey PALKPTNUIUCQQI-UHFFFAOYSA-N
Molecular Weight 310.9790
SMILES OC(=O)C(Br)CCN1C(=O)c2ccccc2C1=O
SPLASH splash10-03k9-4910000000-40dd8bddd66116ebd393
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany