Home
Current usage is:
Registered Users: 1344
Structures: 43476
Spectra: Measured 52201, calculated 549
Username:

Logon without SSL
Password:
Use cookies for persistant login
ImpressumProblems using nmrshiftdb2? See our tips on browsers to use !

  Home     Search     Results     Quick Check     Predict     Assignment     Submit     Review     Help  
  Search Results  
  You did not do a search!  
     
  Bookmarks  
  You could bookmark structures if you were logged in!  
     
  Details  
 



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: PubChem Compounds;MolPort;Brenda;Nikkaji;eMolecules;Nikkaji;ChEMBL;ACToR;ACToR;FDA/USP Substance Registration System (SRS);EPA (Environmental Protection Agency) CompTox Dashboard;ChEBI (Chemical Entit... (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




Report incorrect data
Copy molecule link
 
     


nmrshiftdb2 (V. 1.4.14, nmrshiftdb.nmr.uni-koeln.de, currently 6 users, 1915261 since 2010-12-14 23:09:00.0) © NMRShiftDB project 2002-2010, © Stefan Kuhn 2010 - 2019.