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2,6-Dimethyl-4-nitrophenol

View entire compound with spectra: 6 NMR, 4 FTIR, 2 Raman, and 2 MS (GC)

2,6-Dimethyl-4-nitrophenol
SpectraBase Compound ID LC6O8kGeWhm
InChI InChI=1S/C8H9NO3/c1-5-3-7(9(11)12)4-6(2)8(5)10/h3-4,10H,1-2H3
InChIKey FNORUNUDZNWQFF-UHFFFAOYSA-N
Mol Weight 167.16 g/mol
Molecular Formula C8H9NO3
Exact Mass 167.058243 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KM9EFpADTdb
Name Phenol, 2,6-dimethyl-4-nitro-
Alternate Name(s) 2,6-Dimethyl-4-nitro-phenol 4-Nitro-2,6-dimethylphenol 4-Nitro-2,6-xylenol AI3-19039 BRN 1873275 EINECS 219-353-9 NSC 2990
CAS Registry Number 2423-71-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H9NO3
InChI InChI=1S/C8H9NO3/c1-5-3-7(9(11)12)4-6(2)8(5)10/h3-4,10H,1-2H3
InChIKey FNORUNUDZNWQFF-UHFFFAOYSA-N
Molecular Weight 167.164 g/mol
SMILES Oc1c(cc(N(=O)=O)cc1C)C
SPLASH splash10-00ou-9500000000-95e5b6911f71eeed85c9
Source of Spectrum F-55-17118-13
Wiley ID 840070