Current usage is:
Registered Users: 2391
Structures: 271631
Spectra: Measured 68119, calculated 396582
Username:
Password:
Use cookies for persistant login
Create New Account
(Only necessary for
contributing data)
Forgot password?
Impressum
Problems 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
User input (2D)
Corina generated (3D)
Spectral Data
Additional Data
Download
Molecule
10354
Chemical name(s)
2-fluoroethanol
Chemical formula
C
2
H
5
OF
Molecular weight
64.0589
Number of double bond equivalents (DBEs)
0.0
Number of all rings, size of smallest set of smallest rings
0, 0
Canonical name(s)
FCCO
(SMILES)
2-fluoroethanol (IUPAC from
ACD/Name
)
ethanol, 2-fluoro- (Index from
ACD/Name
)
InChI=1S/C2H5FO/c3-1-2-4/h4H,1... (truncated)
(INChI)
GGDYAKVUZMZKRV-UHFFFAOYSA-N (InChI Key)
InChI=1/C2H5FO/c3-1-2-4/h4H,1-... (truncated)
(InChI with fixed H layer)
CAS-Number
371-62-0
Additional information
NCI Database
;
Links from Unichem:
PubChem Compounds;PubChem ('Thomson Pharma' subset);ACToR;ACToR;ChemicalBook;ZINC;Brenda;Brenda;ChEMBL;eMolecules;EPA (Environmental Protection Agency) CompTox Dashboard;SureChEMBL;Nikkaji;MolPort;FDA... (truncated)
Molecule keywords
DOI
10.18716/nmrshiftdb2/10354
1H Spectrum
21072 Rating: 10
Type
1H
Measurement conditions
Temperature [K]
Unreported
Solvent
Chloroform-D1 (CDCl3)
Field Strength [MHz]
60
Assignment Method
1D shift positions
Literature
W.W.Simons; M.Zanger: The Sadtler Guide to NMR Spectra, Philadelphia: Sadtler Research Laboratories, Inc. 1972.
Additional comments
Additional information
Spectrum categories
Report incorrect data
Copy molecule link
nmrshiftdb2 (V. 1.4.15, nmrshiftdb.nmr.uni-koeln.de, currently 604 users, 5171151 since 2010-12-14 23:09:00.0) ©
NMRShiftDB project
2002-2010, © Stefan Kuhn 2010 - 2019.
Credits