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1-Acetoxy-2-bromo-1-(4-nitrophenyl)ethane

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

1-Acetoxy-2-bromo-1-(4-nitrophenyl)ethane
SpectraBase Compound ID pdWb4RHzxW
InChI InChI=1S/C10H10BrNO4/c1-7(13)16-10(6-11)8-2-4-9(5-3-8)12(14)15/h2-5,10H,6H2,1H3
InChIKey GSCRNMRCXIFASI-UHFFFAOYSA-N
Mol Weight 288.1 g/mol
Molecular Formula C10H10BrNO4
Exact Mass 286.979321 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DaIlGtdMK1q
Name 1-Acetoxy-2-bromo-1-(4-nitrophenyl)ethane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 286.979320802 u
Formula C10H10BrNO4
InChI InChI=1S/C10H10BrNO4/c1-7(13)16-10(6-11)8-2-4-9(5-3-8)12(14)15/h2-5,10H,6H2,1H3
InChIKey GSCRNMRCXIFASI-UHFFFAOYSA-N
Molecular Weight 288.097 g/mol
SMILES C(CBr)(C=1C=CC(=CC1)N(=O)=O)OC(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.837089