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1,8-Dinitropyrene

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

1,8-Dinitropyrene
SpectraBase Compound ID Clb2WDi6rDY
InChI InChI=1S/C16H8N2O4/c19-17(20)13-7-3-9-1-2-10-4-8-14(18(21)22)12-6-5-11(13)15(9)16(10)12/h1-8H
InChIKey BLYXNIHKOMELAP-UHFFFAOYSA-N
Mol Weight 292.25 g/mol
Molecular Formula C16H8N2O4
Exact Mass 292.048407 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID JRwBUOrlxcl
Name 1,8-Dinitropyrene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 292.048406742 u
Formula C16H8N2O4
InChI InChI=1S/C16H8N2O4/c19-17(20)13-7-3-9-1-2-10-4-8-14(18(21)22)12-6-5-11(13)15(9)16(10)12/h1-8H
InChIKey BLYXNIHKOMELAP-UHFFFAOYSA-N
Molecular Weight 292.250 g/mol
SMILES C1([N+](=O)[O-])=CC=C2C=CC3=CC=C(C4=CC=C1C2=C34)[N+](=O)[O-]
Spectrum/Structure Validation Score (Raman) 0.922872