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4-Nitrobenzoic acid, 3-chloroprop-2-enyl ester

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

4-Nitrobenzoic acid, 3-chloroprop-2-enyl ester
SpectraBase Compound ID JjOYft9dP2F
InChI InChI=1S/C10H8ClNO4/c11-6-1-7-16-10(13)8-2-4-9(5-3-8)12(14)15/h1-6H,7H2/b6-1+
InChIKey LIVUUKNGTUNKGJ-LZCJLJQNSA-N
Mol Weight 241.63 g/mol
Molecular Formula C10H8ClNO4
Exact Mass 241.014185 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID aEXv37cq8p
Name 4-Nitrobenzoic acid, 3-chloroprop-2-enyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 241.014185438 u
Formula C10H8ClNO4
InChI InChI=1S/C10H8ClNO4/c11-6-1-7-16-10(13)8-2-4-9(5-3-8)12(14)15/h1-6H,7H2/b6-1+
InChIKey LIVUUKNGTUNKGJ-LZCJLJQNSA-N
Molecular Weight 241.630 g/mol
SMILES C1(=CC=C(C=C1)C(=O)OC\C=C\Cl)N(=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.974885