Spektraris NMR
GADBCXPEZFEVON-UHFFFAOYSA-
Common Name: GADBCXPEZFEVON-UHFFFAOYSA-
Synonyms: GADBCXPEZFEVON-UHFFFAOYSA-
CAS Registry Number:
InChI: InChI=1S/C12H9NO4/c1-5(14)8-10(13)12(17)9-6(11(8)16)3-2-4-7(9)15/h2-4,15H,13H2,1H3
InChIKey: InChIKey=GADBCXPEZFEVON-UHFFFAOYSA-N
Formula: C12H9N1O4
Molecular Weight: 231.20466
Exact Mass: 231.053158
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Soonthornchareonnon, N., Suwanborirux, K., Bavovada, R., Patarapanich, C., Cassady, J.M. J Nat Prod (1999) 62, 1390-4
Species:
Notes: Family : Aromatics, Type : Naphthalenes, Group : Naphthoquinones; 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 |
|---|---|
| 1 (C) | 180.4 |
| 2 (C) | 124.7 |
| 3 (C) | 152.5 |
| 4 (C) | 184.8 |
| 5 (C) | 161.9 |
| 6 (CH) | 122.2 |
| 7 (CH) | 139.1 |
| 8 (CH) | 119.7 |
| 9 (C) | 133.7 |
| 10 (C) | 114 |
| 1' (C) | 202.2 |
| 2' (CH3) | 33.1 |
