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(3-Methoxy-2-nitrophenyl)acetic acid, methyl ester

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

(3-Methoxy-2-nitrophenyl)acetic acid, methyl ester
SpectraBase Compound ID FaXd69bxqmZ
InChI InChI=1S/C10H11NO5/c1-15-8-5-3-4-7(6-9(12)16-2)10(8)11(13)14/h3-5H,6H2,1-2H3
InChIKey ANKUBXLKAKXKLI-UHFFFAOYSA-N
Mol Weight 225.2 g/mol
Molecular Formula C10H11NO5
Exact Mass 225.063722 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DUy3hM4DJb2
Name (3-Methoxy-2-nitrophenyl)acetic acid, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 225.063722453 u
Formula C10H11NO5
InChI InChI=1S/C10H11NO5/c1-15-8-5-3-4-7(6-9(12)16-2)10(8)11(13)14/h3-5H,6H2,1-2H3
InChIKey ANKUBXLKAKXKLI-UHFFFAOYSA-N
Molecular Weight 225.200 g/mol
SMILES C1=CC(CC(=O)OC)=C(C(=C1)OC)N(=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.902028