Molecular properties
- Formula
- C10H13NO2
- Molar mass
- 179.22 g·mol−1
- Exact mass
- 179.0946 Da
- 5
- PubChem CID
- 82560
Molecule record
1-(2-methylpropyl)-4-nitrobenzene
C10H13NO2
179.22 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Aromatic ring
Nitro compound
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 1-(2-Methylpropyl)-4-nitro-benzene
- 1-Isobutyl-4-nitrobenzene
- 1-Nitro-4-isobutylbenzene
- 1-isobutyl-4-nitro-benzene
- 10342-60-6
- 233-744-1
- 4-Isobutylnitrobenzene
- 4-NITROISOBUTYLBENZENE
Show all 24 synonyms
- AKOS022794648
- AS-62298
- Benzene, 1-(2-methylpropyl)-4-nitro-
- Benzene,1-(2-methylpropyl)-4-nitro-
- DTXCID9068320
- DTXSID00145829
- EINECS 233-744-1
- MFCD00130032
- P-ISOBUTYLNITROBENZENE
- P64U4AK7EC
- RefChem:1054030
- SCHEMBL5715396
- SCHEMBL7329851
- SCHEMBL7495943
- UNII-P64U4AK7EC
- mononitro-isobutylbenzene
Structure identifiers
- Canonical SMILES
- CC(C)Cc1ccc([N+](=O)[O-])cc1
- Isomeric SMILES
- CC(C)CC1=CC=C(C=C1)[N+](=O)[O-]
- InChI
- InChI=1S/C10H13NO2/c1-8(2)7-9-3-5-10(6-4-9)11(12)13/h3-6,8H,7H2,1-2H3
- InChIKey
- DCYMLRJKFWGXEC-UHFFFAOYSA-N
- PubChem CID
- 82560
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 1-(2-methylpropyl)-4-nitrobenzene; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 1-(2-methylpropyl)-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.