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5-Nitro-m-xylene-alpha,alpha'-diol

View entire compound with spectra: 5 NMR, 2 FTIR, 1 Raman, and 1 UV-Vis

5-Nitro-m-xylene-alpha,alpha'-diol
SpectraBase Compound ID KVJ8hlb5g6V
InChI InChI=1S/C8H9NO4/c10-4-6-1-7(5-11)3-8(2-6)9(12)13/h1-3,10-11H,4-5H2
InChIKey FTLFITNFXXERLN-UHFFFAOYSA-N
Mol Weight 183.16 g/mol
Molecular Formula C8H9NO4
Exact Mass 183.053158 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KZMSDZLoqrh
Name 5-Nitro-m-xylene-alpha,alpha'-diol
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 184799
CAS Registry Number 71176-55-1
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H9NO4
InChI InChI=1S/C8H9NO4/c10-4-6-1-7(5-11)3-8(2-6)9(12)13/h1-3,10-11H,4-5H2
InChIKey FTLFITNFXXERLN-UHFFFAOYSA-N
Observed nucleus 13C
Purity 96%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms (5-Nitro-1,3-phenylene)dimethanol [3-(hydroxymethyl)-5-nitrophenyl]methanol
Wiley ID SIAL_13CNMR_002342