| SpectraBase Compound ID | FC5SgesiN7 |
|---|---|
| InChI | InChI=1S/C14H14N4O2/c1-17-12-11(13(19)18(2)14(17)20)15-10(16-12)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,15,16) |
| InChIKey | SWKGFZTXWQMFLK-UHFFFAOYSA-N |
| Mol Weight | 270.29 g/mol |
| Molecular Formula | C14H14N4O2 |
| Exact Mass | 270.111676 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | I4L9wsZE6gW |
|---|---|
| Name | 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-(phenylmethyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.111675705 u |
| Formula | C14H14N4O2 |
| InChI | InChI=1S/C14H14N4O2/c1-17-12-11(13(19)18(2)14(17)20)15-10(16-12)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,15,16) |
| InChIKey | SWKGFZTXWQMFLK-UHFFFAOYSA-N |
| SMILES | C1=2N(C)C(=O)N(C(C2NC(=N1)CC1=CC=CC=C1)=O)C |