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2-(Methoxycarbonyl)-6-nitrobenzoic acid

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

2-(Methoxycarbonyl)-6-nitrobenzoic acid
SpectraBase Compound ID dm01AkFZDh
InChI InChI=1S/C9H7NO6/c1-16-9(13)5-3-2-4-6(10(14)15)7(5)8(11)12/h2-4H,1H3,(H,11,12)
InChIKey DJMQLZPEBHSABD-UHFFFAOYSA-N
Mol Weight 225.16 g/mol
Molecular Formula C9H7NO6
Exact Mass 225.027337 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Hg6MKMeOJH8
Name 2-(Methoxycarbonyl)-6-nitrobenzoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 225.027336943 u
Formula C9H7NO6
InChI InChI=1S/C9H7NO6/c1-16-9(13)5-3-2-4-6(10(14)15)7(5)8(11)12/h2-4H,1H3,(H,11,12)
InChIKey DJMQLZPEBHSABD-UHFFFAOYSA-N
Molecular Weight 225.156 g/mol
SMILES C1(=C(N(=O)=O)C=CC=C1C(=O)OC)C(=O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.977443