(minus)-(1S,2S,5S)-2-hydroxy-3-pinanone

Experimental Spectra Experimental vs. Calculated Spectra Back

(minus)-(1S,2S,5S)-2-hydroxy-3-pinanone experimental vs. calculated spectra

Computational work performed by:

Joao Batista Jr.

Uploaded on:

Dec. 11, 2023

Computational details:

Gaussian 09, B3PW91/PCM(CHCl3)/6-311G(d,p), scaling factor 0.98, HWHM 6 cm-1

(minus)-(1S,2S,5S)-2-hydroxy-3-pinanone