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Methyl 5-chloro-2-hydroxy-3-nitrobenzoate

View entire compound with spectra: 1 FTIR

Methyl 5-chloro-2-hydroxy-3-nitrobenzoate
SpectraBase Compound ID DgX0e1Othus
InChI InChI=1S/C8H6ClNO5/c1-15-8(12)5-2-4(9)3-6(7(5)11)10(13)14/h2-3,11H,1H3
InChIKey FIUDEVZDUKTMAC-UHFFFAOYSA-N
Mol Weight 231.59 g/mol
Molecular Formula C8H6ClNO5
Exact Mass 230.99345 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FoIsMeval55
Name Methyl 5-chloro-2-hydroxy-3-nitrobenzoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 230.993449992 u
Formula C8H6ClNO5
InChI InChI=1S/C8H6ClNO5/c1-15-8(12)5-2-4(9)3-6(7(5)11)10(13)14/h2-3,11H,1H3
InChIKey FIUDEVZDUKTMAC-UHFFFAOYSA-N
Molecular Weight 231.591 g/mol
SMILES C1(Cl)=CC(=C(C(=C1)C(=O)OC)O)N(=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.92893