theobromine, calcium derivative, mixture with calcium salicylate
Compound with spectra: 1 NMR
| SpectraBase Compound ID | F2iM76JuXkh |
|---|---|
| InChI | InChI=1S/2C7H8N4O2.2C7H6O3.2Ca/c2*1-10-3-8-5-4(10)6(12)9-7(13)11(5)2;2*8-6-4-2-1-3-5(6)7(9)10;;/h2*3H,1-2H3,(H,9,12,13);2*1-4,8H,(H,9,10);;/p-4 |
| InChIKey | OREZDEAAFVSTJC-UHFFFAOYSA-J |
| Mol Weight | 712.7 g/mol |
| Molecular Formula | C28H24Ca2N8O10 |
| Exact Mass | 712.086721 g/mol |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Knoll Pharmaceutical Company, Orange, New Jersey |
| Solvent | TFA |
Methyl 1-methyl-4-(N-nitroso, N,N'-dimethylurea)imidazole-5-carboxylate
6-bromo-1-methyl-pteridine-2,4-quinone
MALONGANENONE_G
MALONGANENONE_F
2-amino-7-(benzyl)-3H-purin-6-one
7-Phenyl-2,4(1H,3H)-pteridinedione
[1,2,5]thiadiazolo[3,4-d]pyrimidine-5,7(4H,6H)-dione, 4-[2-(acetyloxy)ethyl]-
HETEROMINE-E
(E)-7-(2-Methylnitrosamino)ethyl)guanine
3-Methyl-N-(3-phenoxyphenyl)-5-[(E)-4-pyridylmethyleneamino]imidazole-4-carboxamide
KnowItAll NMR Spectral Library
Author: Wiley
The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.