Molecule record

1-ethoxy-4-nitrobenzene

C8H9NO3

167.16 g/mol

Loading structure

Molecular properties

Formula
C8H9NO3
Molar mass
167.16 g·mol−1
Exact mass
167.0582 Da
5
PubChem CID
7495

Functional groups

Alkane / alkyl carbon
Aromatic ring
Ether
Nitro compound

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 1-ethoxy-4-nitro-benzene
  • 1-ethyl-4-nitrophenyl ether
  • 100-29-8
  • 4-Ethoxynitrobenzene
  • 4-NITROPHENETOLE
  • 4-Nitrophenetol
  • 4-ethoxy-1-nitrobenzene
  • Benzene, 1-ethoxy-4-nitro-
Show all 24 synonyms
  • CCRIS 2333
  • DTXSID7026655
  • EINECS 202-837-9
  • Ethyl p-nitrophenyl ether
  • HSDB 5333
  • MFCD00007330
  • NSC 9812
  • O0A69I1MCU
  • Phenetole, p-nitro-
  • RefChem:100076
  • UNII-O0A69I1MCU
  • p-Ethoxynitrobenzene
  • p-Nitrophenetol
  • p-Nitrophenetol [German]
  • p-Nitrophenetole
  • para-nitrophenetol

Structure identifiers

Canonical SMILES
CCOc1ccc([N+](=O)[O-])cc1
Isomeric SMILES
CCOC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C8H9NO3/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6H,2H2,1H3
InChIKey
NWPKEYHUZKMWKJ-UHFFFAOYSA-N
PubChem CID
7495

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 1-ethoxy-4-nitrobenzene; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 1-ethoxy-4-nitrobenzene; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

Open source record