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Dibenzo[b,f][1,4]-oxazepin-11(10H)-one, 2-nitro-

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

Dibenzo[b,f][1,4]-oxazepin-11(10H)-one, 2-nitro-
SpectraBase Compound ID 4OEJtjguzXs
InChI InChI=1S/C13H8N2O4/c16-13-9-7-8(15(17)18)5-6-11(9)19-12-4-2-1-3-10(12)14-13/h1-7H,(H,14,16)
InChIKey AKXKFNUVGGYMJP-UHFFFAOYSA-N
Mol Weight 256.22 g/mol
Molecular Formula C13H8N2O4
Exact Mass 256.048407 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3xNHkboA8pU
Name Dibenzo[B,F][1,4]-oxazepin-11(10H)-one, 2-nitro-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 256.048406742 u
Formula C13H8N2O4
InChI InChI=1S/C13H8N2O4/c16-13-9-7-8(15(17)18)5-6-11(9)19-12-4-2-1-3-10(12)14-13/h1-7H,(H,14,16)
InChIKey AKXKFNUVGGYMJP-UHFFFAOYSA-N
SMILES C1=2C(NC=3C=CC=CC3OC2C=CC(=C1)N(=O)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.968858