Molecular properties
- Formula
- C13H20
- Molar mass
- 176.30 g·mol−1
- Exact mass
- 176.1565 Da
- 4
- PubChem CID
- 137441
Molecule record
heptan-3-ylbenzene
C13H20
176.30 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Aromatic ring
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- (1-ethylpentyl)benzene
- (3-Heptyl)benzene
- 2132-85-6
- 3-phenylheptane
- Benzene, 1-ethylpentyl
- Benzene,(1-ethylpentyl)-
- DTXSID10943838
- RefChem:1050102
Show all 15 synonyms
- SCHEMBL29288755
- SCHEMBL3385362
- SCHEMBL3432105
- SCHEMBL5259569
- SCHEMBL598619
- SCHEMBL815083
- SCHEMBL815923
Structure identifiers
- Canonical SMILES
- CCCCC(CC)c1ccccc1
- Isomeric SMILES
- CCCCC(CC)C1=CC=CC=C1
- InChI
- InChI=1S/C13H20/c1-3-5-9-12(4-2)13-10-7-6-8-11-13/h6-8,10-12H,3-5,9H2,1-2H3
- InChIKey
- QXZANYPVYZTYBN-UHFFFAOYSA-N
- PubChem CID
- 137441
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 heptan-3-ylbenzene; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for heptan-3-ylbenzene; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.