| SpectraBase Compound ID | ElkCQCdSAba |
|---|---|
| InChI | InChI=1S/C6H6N4O2/c1-10-2-7-4-3(10)5(11)9-6(12)8-4/h2H,1H3,(H2,8,9,11,12) |
| InChIKey | PFWLFWPASULGAN-UHFFFAOYSA-N |
| Mol Weight | 166.14 g/mol |
| Molecular Formula | C6H6N4O2 |
| Exact Mass | 166.049075 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 4tl8iPaIHNv |
|---|---|
| Name | 7-METHYLXANTHINE |
| Source of Sample | Fluka AG, Buchs, Switzerland |
| CAS Registry Number | 552-62-5 |
| Copyright | Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C6H6N4O2 |
| InChI | InChI=1S/C6H6N4O2/c1-10-2-7-4-3(10)5(11)9-6(12)8-4/h2H,1H3,(H2,8,9,11,12) |
| InChIKey | PFWLFWPASULGAN-UHFFFAOYSA-N |
| Instrument Name | BRUKER AC-300 |
| Melting Point | >300C |
| Molecular Weight | 166.14 |
| Solvent | DMSO-d6; Reference=TMS; Temperature 297K |