Home
Current usage is:
Registered Users: 1423
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
10005931
Chemical name(s)PHENOL,2-CHLORO
Chemical formulaC6H5OCl
Molecular weight128.556
Number of double bond equivalents (DBEs)4.0
Number of all rings, size of smallest set of smallest rings1, 1
Canonical name(s)
CAS-Number 95-57-8
Additional information NCI Database; ChEBI;
Links from Unichem: PDBe (Protein Data Bank Europe);IBM strategic IP insight platform and the National Institutes of Health;PubChem ('Thomson Pharma' subset);ChEBI (Chemical Entities of Biological Interest).;Bren... (truncated)
Molecule keywords
DOI
13C Spectrum
10037909 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 comments209.MOL; Multiplicities generated automatically from H count
Additional information
Spectrum categories



Spectral Data   Additional Data   Download  
Type: 13C Unreported Double click to get resizeable window!
Atom
No. ⇓
Mult.(coupling const.)
Meas.
Shift
Intensity
expt-0
1 S 151.5 0.336 151.8
2 S 120.2 0.084 120.3
3 D 129.2 0.689 129.3
4 D 121.5 0.725 121.5
5 D 128.4 1.0 128.5
6 D 116.5 0.971 116.3

Double click upper part to get resizeable window!



Spectral Data   Additional Data   Download  
Type: 1H Unreported Double click to get resizeable window!
Atom
No. ⇓
Mult.(coupling const.)
Meas.
Shift
3-H 7.287
4-H 6.853
5-H 7.159
6-H 7.010
7-H 5.610

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 25 users, 2044686 since 2010-12-14 23:09:00.0) © NMRShiftDB project 2002-2010, © Stefan Kuhn 2010 - 2019.