Molecular properties
- Formula
- C8H6
- Molar mass
- 102.14 g·mol−1
- Exact mass
- 102.0469 Da
- 6
- PubChem CID
- 10821
Molecule record
ethynylbenzene
C8H6
102.14 g/mol
Loading structure
Functional groups
Alkyne
Aromatic ring
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 1-Phenylethyne
- 1-ethynylbenzene
- 1-phenylacetylene
- 120851-94-7
- 126716-66-3
- 208-645-1
- 239WSR2IBO
- 536-74-3
Show all 24 synonyms
- Acetylene, phenyl-
- Benzene, ethynyl-
- C8H6
- DTXCID1041477
- DTXSID1060211
- EINECS 208-645-1
- Ethyne, phenyl-
- MFCD00008570
- NSC-4957
- PHENYLACETYLENE
- Phenylacethylene
- Phenylacetylide
- Phenylethyne
- RefChem:596816
- ethynyl-benzene
- phenyl-acetylene
Structure identifiers
- Canonical SMILES
- C#Cc1ccccc1
- Isomeric SMILES
- C#CC1=CC=CC=C1
- InChI
- InChI=1S/C8H6/c1-2-8-6-4-3-5-7-8/h1,3-7H
- InChIKey
- UEXCJVNBTNXOEH-UHFFFAOYSA-N
- PubChem CID
- 10821
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 ethynylbenzene; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for ethynylbenzene; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.