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2,5-DIMETHYL-4-NITRO-PHENOL
SpectraBase Compound ID CnxBCbHDFUW
InChI InChI=1S/C8H9NO3/c1-5-4-8(10)6(2)3-7(5)9(11)12/h3-4,10H,1-2H3
InChIKey DSWZKAODNLLINU-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 B31gxbLmQ6q
Name Phenol, 2,5-dimethyl-4-nitro-
CAS Registry Number 3139-05-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H9NO3
InChI InChI=1S/C8H9NO3/c1-5-4-8(10)6(2)3-7(5)9(11)12/h3-4,10H,1-2H3
InChIKey DSWZKAODNLLINU-UHFFFAOYSA-N
Molecular Weight 167.164 g/mol
SMILES Oc1cc(C)c(N(=O)=O)cc1C
SPLASH splash10-0v00-4900000000-207ab2637235ab0f18c0
Source of Spectrum I-62-1448-0
Synonyms 2,5-Dimethyl-4-nitro-phenol 4-Nitro-2,5-xylenol
Wiley ID 1163504