P-31 NMR shift calculator

Using this calculator you can predict the chemical shift (ppm) value for around 14000 primary [PH2R], secondary [PHR2] and tertiary [PR3] phosphines (phosphanes). A range of possible substituents are provided for; these include hydrocarbon fragments, such as methyl, ethyl, phenyl, vinyl etc as well as a number of fluorinated organic groups (CF3, C2F5 etc and fluorous chains, or ponytails). A full list of available group can be found in the selection boxes below.

If you wish to have new groups added to the list then please drop me an email, my address is given on the contacts page.

Select the three R groups for the phosphine from the drop-down boxes below:

   
Fluorine Events
Nov 2018
Su 
Mo 
Tu 
We 
Th 
Fr 
Sa 
    
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30

Days with events are highlighted, click, or hover on them for more details. Click here for the diary.

Fluorine News
The crystal structure of [FeCp(CO)2(CCl=CF2)]

[FeCp(CO)2(CCl=CF2)]
One of the first organometallic chlorodifluorovinyl complexes to be prepared.

Fluorine
A pharmaceutical capsule

Modern Drugs
Many new, modern drugs contain fluorinated groups, these include anaesthetics, antibiotics and anticancer drugs.