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5-Butoxy-3-nitrobenzoic acid

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 Raman

5-Butoxy-3-nitrobenzoic acid
SpectraBase Compound ID 9Uewn5mP6uN
InChI InChI=1S/C11H13NO5/c1-2-3-4-17-10-6-8(11(13)14)5-9(7-10)12(15)16/h5-7H,2-4H2,1H3,(H,13,14)
InChIKey OMKUFGBTHXJNFY-UHFFFAOYSA-N
Mol Weight 239.23 g/mol
Molecular Formula C11H13NO5
Exact Mass 239.079373 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID Gx5DzV1W3zN
Name 5-Butoxy-3-nitrobenzoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 239.079372518 u
Formula C11H13NO5
InChI InChI=1S/C11H13NO5/c1-2-3-4-17-10-6-8(11(13)14)5-9(7-10)12(15)16/h5-7H,2-4H2,1H3,(H,13,14)
InChIKey OMKUFGBTHXJNFY-UHFFFAOYSA-N
Molecular Weight 239.227 g/mol
SMILES N(=O)(=O)C1=CC(=CC(C(O)=O)=C1)OCCCC
Spectrum/Structure Validation Score (Raman) 0.856976