| SpectraBase Compound ID | E1KgCIvNw31 |
|---|---|
| InChI | InChI=1S/C29H27N5O4/c30-26-23-27(32-17-31-26)34(18-33-23)28-25(36)24(35)22(38-28)16-37-29(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,17-18,22,24-25,28,35-36H,16H2,(H2,30,31,32) |
| InChIKey | UKCBMOADKGIZCV-UHFFFAOYSA-N |
| Mol Weight | 509.57 g/mol |
| Molecular Formula | C29H27N5O4 |
| Exact Mass | 509.206304 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2DHnX4J1QiX |
|---|---|
| Name | 5'-Trityladenosine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 509.206304365 u |
| Formula | C29H27N5O4 |
| InChI | InChI=1S/C29H27N5O4/c30-26-23-27(32-17-31-26)34(18-33-23)28-25(36)24(35)22(38-28)16-37-29(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,17-18,22,24-25,28,35-36H,16H2,(H2,30,31,32) |
| InChIKey | UKCBMOADKGIZCV-UHFFFAOYSA-N |
| Molecular Weight | 509.566 g/mol |
| SMILES | C1=CC(=CC=C1)C(C1=CC=CC=C1)(C1=CC=CC=C1)OCC1C(C(C(N2C3=C(C(=NC=N3)N)N=C2)O1)O)O |