Home
Current usage is:
Registered Users: 1395
Structures: 43482
Spectra: Measured 52223, calculated 549
Username:
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
10008652
Chemical name(s)1-PENTANOL
Chemical formulaC5H12O
Molecular weight88.1482
Number of double bond equivalents (DBEs)0.0
Number of all rings, size of smallest set of smallest rings0, 0
Canonical name(s)
CAS-Number 71-41-0
Additional information NCI Database; ChEBI;
Links from Unichem: ChEMBL;PDBe (Protein Data Bank Europe);KEGG (Kyoto Encyclopedia of Genes and Genomes) Ligand;ChEBI (Chemical Entities of Biological Interest).;ZINC;eMolecules;FDA/USP Substance Registration System (SR... (truncated)
Molecule keywords
DOI
13C Spectrum
10038678 Rating: 10
Type13C
Measurement conditions
Temperature [K]Unreported
SolventUnreported
Field Strength [MHz]Unreported
Assignment MethodUnreported
Literature S. Berger; S. Braun; H.-O. Kalinowski: 13-C-NMR-Spektroskopie, New York: Thieme Verlag 1984.
Additional comments995.MOL; Multiplicities generated automatically from H count
Additional information
Spectrum categories



Spectral Data   Additional Data   Download  
Type: 13C 23 Double click to get resizeable window!
Atom
No. ⇓
Mult.(coupling const.)
Meas.
Shift
Intensity
expt-0
1 T 62.4 1.0 63.2
2 T 32.7 0.901 33.6
3 T 28.5 0.837 29.4
4 T 22.9 0.529 23.8
5 Q 14.2 0.838 15.3

Double click upper part to get resizeable window!




Report incorrect data
Copy molecule link
 
     


nmrshiftdb2 (V. 1.4.14, nmrshiftdb.nmr.uni-koeln.de, currently 20 users, 1939990 since 2010-12-14 23:09:00.0) © NMRShiftDB project 2002-2010, © Stefan Kuhn 2010 - 2019.