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Spectral Data   Additional Data   Download  
Molecule
20028915
Chemical name(s)Methylacetylene
Chemical formulaC3H4
Molecular weight40.0639
Number of double bond equivalents (DBEs)2.0
Number of all rings, size of smallest set of smallest rings0, 0
Canonical name(s)
  • C#CC (SMILES)
  • prop-1-yne (IUPAC from ACD/Name)
  • 1-propyne (Index from ACD/Name)
  • InChI=1S/C3H4/c1-3-2/h1H,2H3 (INChI)
  • MWWATHDPGQKSAR-UHFFFAOYSA-N (InChI Key)
  • InChI=1/C3H4/c1-3-2/h1H,2H3 (InChI with fixed H layer)
CAS-Number 74-99-7
Additional information ChEBI;
Links from Unichem: eMolecules;Nikkaji;EPA (Environmental Protection Agency) CompTox Dashboard;ChEMBL;ACToR;ACToR;FDA/USP Substance Registration System (SRS);ChEBI (Chemical Entities of Biological Interest).;PubChem (... (truncated)
Molecule keywords
DOI
13C Spectrum
20078007 Rating: 10
Type13C
Measurement conditions
Temperature [K]Unknown
SolventUnknown
Field Strength [MHz]Unknown
Assignment MethodUnknown
Literature
Additional comments
Additional information
Spectrum categoriesSpeclib




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