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7-Nitro-3,4-dihydro-2H-1,5-benzodioxepin-3-ol

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

7-Nitro-3,4-dihydro-2H-1,5-benzodioxepin-3-ol
SpectraBase Compound ID B2P8b9E5Zn
InChI InChI=1S/C9H9NO5/c11-7-4-14-8-2-1-6(10(12)13)3-9(8)15-5-7/h1-3,7,11H,4-5H2
InChIKey FRPGYQKIAAOACK-UHFFFAOYSA-N
Mol Weight 211.17 g/mol
Molecular Formula C9H9NO5
Exact Mass 211.048072 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3WAI7xLTfi4
Name 7-Nitro-3,4-dihydro-2H-1,5-benzodioxepin-3-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 211.048072389 u
Formula C9H9NO5
InChI InChI=1S/C9H9NO5/c11-7-4-14-8-2-1-6(10(12)13)3-9(8)15-5-7/h1-3,7,11H,4-5H2
InChIKey FRPGYQKIAAOACK-UHFFFAOYSA-N
Molecular Weight 211.173 g/mol
SMILES C1OC=2C(OCC1O)=CC(=CC2)N(=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.893637