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2H-Benzimidazol-2-one, 1,3-dihydro-5,6-dinitro-

View entire compound with spectra: 1 FTIR

2H-Benzimidazol-2-one, 1,3-dihydro-5,6-dinitro-
SpectraBase Compound ID BTfvaxlfsjx
InChI InChI=1S/C7H4N4O5/c12-7-8-3-1-5(10(13)14)6(11(15)16)2-4(3)9-7/h1-2H,(H2,8,9,12)
InChIKey TZDUUWCJIOBQOD-UHFFFAOYSA-N
Mol Weight 224.13 g/mol
Molecular Formula C7H4N4O5
Exact Mass 224.018169 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID fs0Cs6aJUV
Name 2H-Benzimidazol-2-one, 1,3-dihydro-5,6-dinitro-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 224.018169240 u
Formula C7H4N4O5
InChI InChI=1S/C7H4N4O5/c12-7-8-3-1-5(10(13)14)6(11(15)16)2-4(3)9-7/h1-2H,(H2,8,9,12)
InChIKey TZDUUWCJIOBQOD-UHFFFAOYSA-N
Molecular Weight 224.132 g/mol
SMILES C12=C(C=C(C(=C2)N(=O)=O)N(=O)=O)NC(N1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.920699