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4-Bromobutyric acid, 4-nitrophenyl ester

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4-Bromobutyric acid, 4-nitrophenyl ester
SpectraBase Compound ID 9EJqGsqutIG
InChI InChI=1S/C10H10BrNO4/c11-7-1-2-10(13)16-9-5-3-8(4-6-9)12(14)15/h3-6H,1-2,7H2
InChIKey GAAZAZYRJDROIQ-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 17V5EXJeNgX
Name 4-Bromobutyric acid, 4-nitrophenyl ester
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/c11-7-1-2-10(13)16-9-5-3-8(4-6-9)12(14)15/h3-6H,1-2,7H2
InChIKey GAAZAZYRJDROIQ-UHFFFAOYSA-N
Molecular Weight 288.097 g/mol
SMILES C1(=CC=C(C=C1)OC(CCCBr)=O)N(=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.984736