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Acetic acid, (2-chloro-5-nitrophenyl)methyl ester

View entire compound with spectra: 1 FTIR

Acetic acid, (2-chloro-5-nitrophenyl)methyl ester
SpectraBase Compound ID s3SxtMAnlM
InChI InChI=1S/C9H8ClNO4/c1-6(12)15-5-7-4-8(11(13)14)2-3-9(7)10/h2-4H,5H2,1H3
InChIKey SESOLLOQXFQPEM-UHFFFAOYSA-N
Mol Weight 229.62 g/mol
Molecular Formula C9H8ClNO4
Exact Mass 229.014185 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Eoprag9V5ih
Name Acetic acid, (2-chloro-5-nitrophenyl)methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 229.014185438 u
Formula C9H8ClNO4
InChI InChI=1S/C9H8ClNO4/c1-6(12)15-5-7-4-8(11(13)14)2-3-9(7)10/h2-4H,5H2,1H3
InChIKey SESOLLOQXFQPEM-UHFFFAOYSA-N
Molecular Weight 229.619 g/mol
SMILES C1=C(C=C(C(=C1)Cl)COC(=O)C)N(=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.902171