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8-Nitro-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde

View entire compound with spectra: 1 FTIR

8-Nitro-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde
SpectraBase Compound ID 6lJgYu9aOwS
InChI InChI=1S/C9H7NO5/c11-5-6-3-7(10(12)13)9-8(4-6)14-1-2-15-9/h3-5H,1-2H2
InChIKey YWSOOKYDBDMGHY-UHFFFAOYSA-N
Mol Weight 209.16 g/mol
Molecular Formula C9H7NO5
Exact Mass 209.032422 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KSVgl1mv26C
Name 8-Nitro-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 209.032422324 u
Formula C9H7NO5
InChI InChI=1S/C9H7NO5/c11-5-6-3-7(10(12)13)9-8(4-6)14-1-2-15-9/h3-5H,1-2H2
InChIKey YWSOOKYDBDMGHY-UHFFFAOYSA-N
Molecular Weight 209.157 g/mol
SMILES C12=C(OCCO2)C(=CC(=C1)C=O)N(=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.87404