Spektraris NMR

Common Name: Allantion

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11)/t1-/m1/s1

InChIKey: InChIKey=POJWUDADGALRAB-PVQJCKRUSA-N

Formula: C4H6N4O3

Molecular Weight: 158.115775

Exact Mass: 158.04399

NMR Solvent: DMSO-d6

MHz:

Calibration:

NMR references: 13C - Yin, F., Hu, L., Pan, R. Chem Pharm Bull (2004) 52, 1440-4

Species:

Notes: Family : Alkaloids, Type : Purines; 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)