| SpectraBase Compound ID | JGHhhyh87nC |
|---|---|
| InChI | InChI=1S/C17H23N7/c18-14-13-15(24-16(19)23-14)20-7-12(22-13)8-21-17-4-9-1-10(5-17)3-11(2-9)6-17/h7,9-11,21H,1-6,8H2,(H4,18,19,20,23,24)/t9-,10+,11-,17- |
| InChIKey | DSHCVLCYOKQMHS-RLWBAIGVSA-N |
| Mol Weight | 325.42 g/mol |
| Molecular Formula | C17H23N7 |
| Exact Mass | 325.201494 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kx4YodNhiT0 |
|---|---|
| Name | 2,4-Diamino-6-adamantylaminomethylpteridine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 325.201493769 u |
| Formula | C17H23N7 |
| InChI | InChI=1S/C17H23N7/c18-14-13-15(24-16(19)23-14)20-7-12(22-13)8-21-17-4-9-1-10(5-17)3-11(2-9)6-17/h7,9-11,21H,1-6,8H2,(H4,18,19,20,23,24)/t9-,10+,11-,17- |
| InChIKey | DSHCVLCYOKQMHS-RLWBAIGVSA-N |
| Molecular Weight | 325.420 g/mol |
| SMILES | C1=2C(=C(N=C(N2)N)N)N=C(C=N1)CNC12C[C@]3(C[C@](C[C@](C3)(C1)[H])(C2)[H])[H] |