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1,4-Anthracenedione, 6-nitro-

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

1,4-Anthracenedione, 6-nitro-
SpectraBase Compound ID Ilq5MB4fjWt
InChI InChI=1S/C14H7NO4/c16-13-3-4-14(17)12-7-9-5-10(15(18)19)2-1-8(9)6-11(12)13/h1-7H
InChIKey LQACKSHLPSTHHV-UHFFFAOYSA-N
Mol Weight 253.21 g/mol
Molecular Formula C14H7NO4
Exact Mass 253.037508 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5Xb28OitSJj
Name 1,4-Anthracenedione, 6-nitro-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 253.037507705 u
Formula C14H7NO4
InChI InChI=1S/C14H7NO4/c16-13-3-4-14(17)12-7-9-5-10(15(18)19)2-1-8(9)6-11(12)13/h1-7H
InChIKey LQACKSHLPSTHHV-UHFFFAOYSA-N
Molecular Weight 253.213 g/mol
SMILES C1(=O)C=CC(C2=C1C=C1C(=C2)C=C(C=C1)N(=O)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.913491