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6-[(4-Nitrophenyl)carbonyl]-2,3-dihydro-1,4-benzodioxine

View entire compound with spectra: 1 NMR, and 1 FTIR

6-[(4-Nitrophenyl)carbonyl]-2,3-dihydro-1,4-benzodioxine
SpectraBase Compound ID G6nno4qIDMF
InChI InChI=1S/C15H11NO5/c17-15(10-1-4-12(5-2-10)16(18)19)11-3-6-13-14(9-11)21-8-7-20-13/h1-6,9H,7-8H2
InChIKey ACTMTFINCCPVAR-UHFFFAOYSA-N
Mol Weight 285.25 g/mol
Molecular Formula C15H11NO5
Exact Mass 285.063722 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5WuYUfWyPPn
Name 6-[(4-Nitrophenyl)carbonyl]-2,3-dihydro-1,4-benzodioxine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 285.063722453 u
Formula C15H11NO5
InChI InChI=1S/C15H11NO5/c17-15(10-1-4-12(5-2-10)16(18)19)11-3-6-13-14(9-11)21-8-7-20-13/h1-6,9H,7-8H2
InChIKey ACTMTFINCCPVAR-UHFFFAOYSA-N
SMILES C1=CC(=CC=C1C(=O)C=1C=C2OCCOC2=CC1)N(=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.972119