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
sdbs
Spectral Data
Additional Data
Download
Molecule
20096504
Chemical name(s)
2-ethoxyethanol
Chemical formula
C
4
H
10
O
2
Molecular weight
90.121
Number of double bond equivalents (DBEs)
0.0
Number of all rings, size of smallest set of smallest rings
0, 0
Canonical name(s)
OCCOCC
(SMILES)
InChI=1S/C4H10O2/c1-2-6-4-3-5/... (truncated)
(INChI)
ZNQVEEAIQZEUHB-UHFFFAOYSA-N (InChI Key)
InChI=1/C4H10O2/c1-2-6-4-3-5/h... (truncated)
(InChI with fixed H layer)
CAS-Number
110-80-5
Additional information
ChEBI
;
Links from Unichem:
PubChem ('Thomson Pharma' subset);PubChem Compounds;FDA/USP Substance Registration System (SRS);ACToR;Probes And Drugs;ChemicalBook;Brenda;Human Metabolome Database (HMDB);Brenda;Brenda;Brenda;KEGG (K... (truncated)
Molecule keywords
DOI
13C Spectrum
20130488 Rating: 10
Type
13C
Measurement conditions
Temperature [K]
Unreported
Solvent
Unreported
Field Strength [MHz]
Unreported
Assignment Method
Unreported
Literature
Additional comments
S510.mol; multiplicities generated from H count
Additional information
sdbs
Spectrum categories
sdbs
Spectral Data
Additional Data
Download
Type: 1H Unreported
Atom
Mult.(coupling const.)
Meas.
Shift
1-H
3.720
2-H
3.550
3-H
3.550
4-H
1.224
5-H
2.700
Report incorrect data
Copy molecule link
nmrshiftdb2 (V. 1.4.15, nmrshiftdb.nmr.uni-koeln.de, currently 115 users, 5174237 since 2010-12-14 23:09:00.0) ©
NMRShiftDB project
2002-2010, © Stefan Kuhn 2010 - 2019.
Credits