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Propan-1-one, 1-(2,4-dinitrophenyl)-

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

Propan-1-one, 1-(2,4-dinitrophenyl)-
SpectraBase Compound ID 6sBv6Ru3T3b
InChI InChI=1S/C9H8N2O5/c1-2-9(12)7-4-3-6(10(13)14)5-8(7)11(15)16/h3-5H,2H2,1H3
InChIKey ABBRPQOHFIQUPF-UHFFFAOYSA-N
Mol Weight 224.17 g/mol
Molecular Formula C9H8N2O5
Exact Mass 224.043321 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID J7SDji1sgQg
Name Propan-1-one, 1-(2,4-dinitrophenyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 224.043321361 u
Formula C9H8N2O5
InChI InChI=1S/C9H8N2O5/c1-2-9(12)7-4-3-6(10(13)14)5-8(7)11(15)16/h3-5H,2H2,1H3
InChIKey ABBRPQOHFIQUPF-UHFFFAOYSA-N
Molecular Weight 224.172 g/mol
SMILES CCC(=O)C1=C(N(=O)=O)C=C(N(=O)=O)C=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.911483