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4,9-Dioxodecahydro-3A,8-diazacyclopentacyclooctene-7-carboxylic acid amide

View entire compound with spectra: 1 FTIR

4,9-Dioxodecahydro-3A,8-diazacyclopentacyclooctene-7-carboxylic acid amide
SpectraBase Compound ID 5vk6ZmB69rG
InChI InChI=1S/C10H15N3O3/c11-9(15)6-3-4-8(14)13-5-1-2-7(13)10(16)12-6/h6-7H,1-5H2,(H2,11,15)(H,12,16)
InChIKey ABPONIITDMHYSH-UHFFFAOYSA-N
Mol Weight 225.25 g/mol
Molecular Formula C10H15N3O3
Exact Mass 225.111341 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 49qntbIVlJu
Name 4,9-Dioxodecahydro-3A,8-diazacyclopentacyclooctene-7-carboxylic acid amide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 225.111341352 u
Formula C10H15N3O3
InChI InChI=1S/C10H15N3O3/c11-9(15)6-3-4-8(14)13-5-1-2-7(13)10(16)12-6/h6-7H,1-5H2,(H2,11,15)(H,12,16)
InChIKey ABPONIITDMHYSH-UHFFFAOYSA-N
Molecular Weight 225.248 g/mol
SMILES C12N(C(CCC(NC2=O)C(=O)N)=O)CCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.976309