2-Hydroxy-2,4-dimethylbenzofuran-3(2H)-one

2-Hydroxy-2,4-dimethylbenzofuran-3(2H)-one

Common Name: 2-Hydroxy-2,4-dimethylbenzofuran-3(2H)-one

Synonyms: 2-Hydroxy-2,4-dimethylbenzofuran-3(2H)-one

CAS Registry Number:

InChI: InChI=1S/C10H10O3/c1-6-4-3-5-7-8(6)9(11)10(2,12)13-7/h3-5,12H,1-2H3

InChIKey: InChIKey=XZTWUMWIHHLFDI-UHFFFAOYSA-N

Formula: C10H10O3

Molecular Weight: 178.184981

Exact Mass: 178.062994

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Machida, K., Trifonov, L.S., Ayer, W.A., Lu, Z.X., Laroche, A., Huang, H.C., Cheng, K.J., Zantige, J.L. Phytochemistry (2001) 58, 173-7

Species:

Notes: Family : Benzofuranoids; 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)

Carbon NMR Peaks

Position PPM
2 (C) 102.7
3 (C) 199.3
4 (C) 141
5 (CH) 123.7
6 (CH) 138.5
7 (CH) 110.5
8 (CH3) 22.7
9 (CH3) 17.9
10 (C) 114.5
11 (C) 170.4