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2-Butenoic acid, 4-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-, (Z)-
SpectraBase Compound ID Djde5QBxkRj
InChI InChI=1S/C12H9NO4/c14-10(15)6-3-7-13-11(16)8-4-1-2-5-9(8)12(13)17/h1-6H,7H2,(H,14,15)/b6-3-
InChIKey MNHALMKLOGZSFX-UTCJRWHESA-N
Mol Weight 231.21 g/mol
Molecular Formula C12H9NO4
Exact Mass 231.053158 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8UWWNHxySZe
Name 2-Butenoic acid, 4-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-, (Z)-
Alternate Name(s) 2-Isoindolinecrotonic acid, 1,3-dioxo-, (Z)- (2Z)-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-butenoic acid (Z)-4-Phenalimidocrotonic acid
CAS Registry Number 16011-10-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9NO4
InChI InChI=1S/C12H9NO4/c14-10(15)6-3-7-13-11(16)8-4-1-2-5-9(8)12(13)17/h1-6H,7H2,(H,14,15)/b6-3-
InChIKey MNHALMKLOGZSFX-UTCJRWHESA-N
Molecular Weight 231.207 g/mol
SMILES OC(\C=C/CN1C(c2ccccc2C1=O)=O)=O
SPLASH splash10-03di-0090000000-c66f717fc2cfbc1c01c5
Source of Spectrum B-38-1649-6
Wiley ID 1232644