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Molecule record

1-ethoxy-2-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
11889

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

  • 1Ethoxy2nitrobenzene
  • 2-Ethoxynitrobenzene
  • 2-Nitrophenetole
  • 4-06-00-01250 (Beilstein Handbook Reference)
  • AI3-00232
  • BRN 2047308
  • Benzene, 1-ethoxy-2-nitro-
  • Benzene, 1ethoxy2nitro
Show all 24 synonyms
  • CCRIS 2331
  • DTXCID7042936
  • DTXSID8060589
  • EINECS 210-232-6
  • Ethyl onitrophenyl ether
  • InChI=1/C8H9NO3/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H3
  • NITROPHENETOLE, O-
  • NSC 5404
  • O-NITROBENZENE ETHYL ETHER
  • Phenetole, onitro
  • Q0268PNU8K
  • RefChem:88734
  • UNII-Q0268PNU8K
  • XGLGESCVNJSAQY-UHFFFAOYSA-
  • oNitroethoxybenzene
  • oNitrophenetole

Structure identifiers

Canonical SMILES
CCOc1ccccc1[N+](=O)[O-]
Isomeric SMILES
CCOC1=CC=CC=C1[N+](=O)[O-]
InChI
InChI=1S/C8H9NO3/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H3
InChIKey
XGLGESCVNJSAQY-UHFFFAOYSA-N
PubChem CID
11889

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-2-nitrobenzene; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 1-ethoxy-2-nitrobenzene; not experimental data.

Sources

Molecule identity

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

PubChem(link only)
Open source record