Spektraris NMR

Common Name: 3,5-Dimethyl-6-[(E)-3-pentenyl]-4,7-benzofurandione

Synonyms: 3,5-Dimethyl-6-[(E)-3-pentenyl]-4,7-benzofurandione

CAS Registry Number:

InChI: InChI=1S/C15H16O3/c1-4-5-6-7-11-10(3)13(16)12-9(2)8-18-15(12)14(11)17/h4-5,8H,6-7H2,1-3H3/b5-4+

InChIKey: InChIKey=GKCCDKCMOMUYMA-SNAWJCMRSA-N

Formula: C15H16O3

Molecular Weight: 244.286305

Exact Mass: 244.109944

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Sun, X.B., Xu, Y.J., Qiu, D.F., Yuan, C.S. Helv Chim Acta (2007) 90, 1705-11

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eremophilanes; 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)