Spektraris NMR

Common Name: (4S)-4-(2-hydroxy-4-methylphenyl)pentanoic acid

Synonyms: (4S)-4-(2-hydroxy-4-methylphenyl)pentanoic acid

CAS Registry Number:

InChI: InChI=1S/C12H16O3/c1-8-3-5-10(11(13)7-8)9(2)4-6-12(14)15/h3,5,7,9,13H,4,6H2,1-2H3,(H,14,15)/t9-/m0/s1

InChIKey: InChIKey=UYTHOUHYLZYNOZ-VIFPVBQESA-N

Formula: C12H16O3

Molecular Weight: 208.254098

Exact Mass: 208.109944

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - El Sayed, K.A., Yousaf, M., Hamann, M.T., Avery, M.A., Kelly, M., Wipf, P. J Nat Prod (2002) 65, 1547-53

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Bisabolanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)