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)
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 |