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

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

1-Butanoyloxy-2-bromo-1-(4-nitrophenyl)ethane
SpectraBase Compound ID 6ucMry9dM4J
InChI InChI=1S/C12H14BrNO4/c1-2-3-12(15)18-11(8-13)9-4-6-10(7-5-9)14(16)17/h4-7,11H,2-3,8H2,1H3
InChIKey YEIPKEWDMBEKCK-UHFFFAOYSA-N
Mol Weight 316.15 g/mol
Molecular Formula C12H14BrNO4
Exact Mass 315.010621 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Cx3U1jknuQv
Name 1-Butanoyloxy-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 315.010620931 u
Formula C12H14BrNO4
InChI InChI=1S/C12H14BrNO4/c1-2-3-12(15)18-11(8-13)9-4-6-10(7-5-9)14(16)17/h4-7,11H,2-3,8H2,1H3
InChIKey YEIPKEWDMBEKCK-UHFFFAOYSA-N
Molecular Weight 316.151 g/mol
SMILES C(CBr)(C=1C=CC(=CC1)N(=O)=O)OC(CCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.835568