Spektraris NMR

Common Name: 4-(4-Methyl-1,4-cyclohexadienyl)pentanoic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C12H18O2/c1-9-3-6-11(7-4-9)10(2)5-8-12(13)14/h3,7,10H,4-6,8H2,1-2H3,(H,13,14)/t10-/m1/s1

InChIKey: InChIKey=HEAYEOGKJIXKLK-SNVBAGLBSA-N

Formula: C12H18O2

Molecular Weight: 194.270574

Exact Mass: 194.13068

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Braun, N.A., Spitzner, D. Arkivoc (2007) 0, 273-9

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)