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2-[(5-Methyl-2,6-dioxomorpholin-3-yl)methyl]isoindole-1,3-dione
SpectraBase Compound ID 9Sf39XDrwLf
InChI InChI=1S/C14H12N2O5/c1-7-13(19)21-14(20)10(15-7)6-16-11(17)8-4-2-3-5-9(8)12(16)18/h2-5,7,10,15H,6H2,1H3
InChIKey DFJOMDAKOJBEKX-UHFFFAOYSA-N
Mol Weight 288.26 g/mol
Molecular Formula C14H12N2O5
Exact Mass 288.074621 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID E7hcjIq7NfC
Name 2-[(5-Methyl-2,6-dioxomorpholin-3-yl)methyl]isoindole-1,3-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 288.074621489 u
Formula C14H12N2O5
InChI InChI=1S/C14H12N2O5/c1-7-13(19)21-14(20)10(15-7)6-16-11(17)8-4-2-3-5-9(8)12(16)18/h2-5,7,10,15H,6H2,1H3
InChIKey DFJOMDAKOJBEKX-UHFFFAOYSA-N
SMILES C(C1C(OC(C(N1)C)=O)=O)N1C(=O)C2=CC=CC=C2C1=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.86399