N-[(3R*,4R*)-3-amino-3,4-dihydro-4-methyl-2,6-dioxo-2H,6H-1,5-benzodioxocin-10-yl ]formamide

N-[(3R*,4R*)-3-amino-3,4-dihydro-4-methyl-2,6-dioxo-2H,6H-1,5-benzodioxocin-10-yl ]formamide

Common Name: N-[(3R*,4R*)-3-amino-3,4-dihydro-4-methyl-2,6-dioxo-2H,6H-1,5-benzodioxocin-10-yl ]formamide

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C12H12N2O5/c1-6-9(13)12(17)19-10-7(11(16)18-6)3-2-4-8(10)14-5-15/h2-6,9H,13H2,1H3,(H,14,15)/t6-,9-/m1/s1

InChIKey: InChIKey=KXDYKUVJWWWXKR-HZGVNTEJSA-N

Formula: C12H12N2O5

Molecular Weight: 264.234631

Exact Mass: 264.074622

NMR Solvent: CD3OD

MHz:

Calibration:

NMR references: 13C - Zhao, P.J., Li, G.H., Shen, Y.M. Chem Biodiversity (2006) 3, 337-42

Species:

Notes: Family : Alkaloids, Type : Anilines; 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) 115.7
2 (C) 152.3
3 (C) 128
4 (CH) 126.5
5 (CH) 119.6
6 (CH) 124.1
7 (C) 170.9
8 (CH) 75.4
9 (CH) 57.9
10 (C) 175.2
11 (CH) 162.2
12 (CH3) 15.4