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1,4-Diazabicyclo[4.3.0]nonan-2,5-dione, N-acetyl-

View entire compound with spectra: 1 FTIR

1,4-Diazabicyclo[4.3.0]nonan-2,5-dione, N-acetyl-
SpectraBase Compound ID 16FExNE91b3
InChI InChI=1S/C9H12N2O3/c1-6(12)11-5-8(13)10-4-2-3-7(10)9(11)14/h7H,2-5H2,1H3
InChIKey KJWFXOVTBCDGRY-UHFFFAOYSA-N
Mol Weight 196.21 g/mol
Molecular Formula C9H12N2O3
Exact Mass 196.084792 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CUC8dmmF2Bv
Name 1,4-Diazabicyclo[4.3.0]nonan-2,5-dione, N-acetyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 196.084792251 u
Formula C9H12N2O3
InChI InChI=1S/C9H12N2O3/c1-6(12)11-5-8(13)10-4-2-3-7(10)9(11)14/h7H,2-5H2,1H3
InChIKey KJWFXOVTBCDGRY-UHFFFAOYSA-N
Molecular Weight 196.206 g/mol
SMILES C1(=O)N2C(C(N(C1)C(C)=O)=O)CCC2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.970739