| SpectraBase Compound ID | LWECT0nEY7i |
|---|---|
| InChI | InChI=1S/C10H14N4O4/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15/h5-6,15-16H,3-4H2,1-2H3/p+1 |
| InChIKey | KSCFJBIXMNOVSH-UHFFFAOYSA-O |
| Mol Weight | 255.25 g/mol |
| Molecular Formula | C10H15N4O4 |
| Exact Mass | 255.10933 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B0Og68OHBt1 |
|---|---|
| Name | 7-(2,3-Dihydroxy-propyl)-theophyllinate cation |
| Comments | MONONICOTINATE |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C10H15N4O4 |
| InChI | InChI=1S/C10H14N4O4/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15/h5-6,15-16H,3-4H2,1-2H3/p+1 |
| InChIKey | KSCFJBIXMNOVSH-UHFFFAOYSA-O |
| Instrument Name | Varian CFT-20 |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3/DMSO-D6 |