Service

Add 1H NMR prediction on your own website

Adding the NMR predictions on your website server is not only FREE but also very easy. Just add the following line in which the last parameter is the URL encoded SMILES code:

• Java applet predictor: https://www.nmrdb.org/predictor?smiles=c1ccccc1CC
• HTML5 1H predictor: https://www.nmrdb.org/service.php?name=nmr-1h-prediction&smiles=c1ccccc1CC

HTML5 compatible predictions on your own website

If you want to link more services compatible with HTML5 you have the following services available

• 1H NMR prediction: https://www.nmrdb.org/service.php?name=nmr-1h-prediction&smiles=c1ccccc1CC
• 13C NMR prediction: https://www.nmrdb.org/service.php?name=nmr-13c-prediction&smiles=c1ccccc1CC
• COSY prediction: https://www.nmrdb.org/service.php?name=cosy-prediction&smiles=c1ccccc1CC
• HSQC/HMBC prediction: https://www.nmrdb.org/service.php?name=hmbc-prediction&smiles=c1ccccc1CC
• All predictions: https://www.nmrdb.org/service.php?name=all-predictions&smiles=c1ccccc1CC

Molfile based webservices

You can also directly submit a molfile, check the source code of this page to see how easy it is!

HTML5 1H NMR prediction Ethylvinylether.mol FromForm 5 4 0 0 0 0 0 0 0 0999 V2000 -2.5950 -0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2975 0.3725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2975 0.3725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5950 -0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 M END

Java applet predictor Ethylvinylether.mol FromForm 5 4 0 0 0 0 0 0 0 0999 V2000 -2.5950 -0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2975 0.3725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2975 0.3725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5950 -0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 M END