Spektraris NMR

Common Name: 5-carboxymellein

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C11H10O5/c1-5-4-7-6(10(13)14)2-3-8(12)9(7)11(15)16-5/h2-3,5,12H,4H2,1H3,(H,13,14)/t5-/m0/s1

InChIKey: InChIKey=QRLBIKRXEQOMSF-YFKPBYRVSA-N

Formula: C11H10O5

Molecular Weight: 222.194527

Exact Mass: 222.052823

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Chinworrungsee, M., P.Kittakoop, Isaka, M., Rungrod, A., Tanticharoen, M., Thebtaranonth, Y. Bioorg Med Chem Lett (2001) 11, 1965-9

Species:

Notes: Family : Isochromans, Type : Isocoumarins; 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)