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2',6'-Dimethylphthalanilic acid
SpectraBase Compound ID LAsiLXtQCJd
InChI InChI=1S/C16H15NO3/c1-10-6-5-7-11(2)14(10)17-15(18)12-8-3-4-9-13(12)16(19)20/h3-9H,1-2H3,(H,17,18)(H,19,20)
InChIKey LLECMGGNFBKPRH-UHFFFAOYSA-N
Mol Weight 269.3 g/mol
Molecular Formula C16H15NO3
Exact Mass 269.105193 g/mol
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Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 7DK8kOt8wvv
Name 2',6'-Dimethylphthalanilic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 269.105193344 u
Formula C16H15NO3
InChI InChI=1S/C16H15NO3/c1-10-6-5-7-11(2)14(10)17-15(18)12-8-3-4-9-13(12)16(19)20/h3-9H,1-2H3,(H,17,18)(H,19,20)
InChIKey LLECMGGNFBKPRH-UHFFFAOYSA-N
Molecular Weight 269.300 g/mol
SMILES N(C(C1=C(C(O)=O)C=CC=C1)=O)C=1C(=CC=CC1C)C
Spectrum/Structure Validation Score (Raman) 0.93123
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