Data on Warfarin:

I have divided the types of data on this page into 2 main types. General Data and Spectroscopic Data:

General Data:

Chemical Names:	4-hydroxy-3-(3-oxo-1-phenyl-butyl)-chromen-2-one 3-(2-acetyl-1-phenylethyl)-4-hydroxycoumarin (+ -)Warfarin
Formula:	C19H16O4
CAS Number:	81-81-2
Molecular Weight:	308.33
Structure:
Isomers:	Optical Isomers: S-Warfarin and R-Warfarin
Melting Point /ºC :	161
Optical Rotation:	S-Warfarin : -25.5 ± 1º R-Warfarin : +24.8 ± 1º

Spectroscopic Data:

NMR Spectrum:

Below is an interpretaion of the NMR spectrum shown above:

Mass Spectrum:

This is the Mass Spectrum for Warfarin.

IR Spectrum:

i. KBr Plate:

This spectrum clearly shows the peak due to the C=O stretch at approximately 1700 wavenumbers and the O-H stretch at approximately 3300 wavenumbers. This is also seen on the spectrum below especially when it is zoomed in on the desired peaks.

ii. Gas Phase: (This spectrum can be zoomed in)

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