| SpectraBase Compound ID | 2E35OvHijDO |
|---|---|
| InChI | InChI=1S/C32H27N5O6/c38-25-14-27(37-18-35-28-29(33-17-34-30(28)37)36-31(39)19-8-2-1-3-9-19)43-26(25)16-42-32(40)41-15-24-22-12-6-4-10-20(22)21-11-5-7-13-23(21)24/h1-13,17-18,24-27,38H,14-16H2,(H,33,34,36,39)/t25-,26+,27+/m0/s1 |
| InChIKey | YXCOGAJKROMXTE-OYUWMTPXSA-N |
| Mol Weight | 577.6 g/mol |
| Molecular Formula | C32H27N5O6 |
| Exact Mass | 577.196134 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 | 2PZ7m6rm6hv |
|---|---|
| Name | 6-N-Benzoyl-2'-deoxy-5'-o-(9-fluorenylmethoxycarbonyl)-adenosine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 577.196133603 u |
| Formula | C32H27N5O6 |
| InChI | InChI=1S/C32H27N5O6/c38-25-14-27(37-18-35-28-29(33-17-34-30(28)37)36-31(39)19-8-2-1-3-9-19)43-26(25)16-42-32(40)41-15-24-22-12-6-4-10-20(22)21-11-5-7-13-23(21)24/h1-13,17-18,24-27,38H,14-16H2,(H,33,34,36,39)/t25-,26+,27+/m0/s1 |
| InChIKey | YXCOGAJKROMXTE-OYUWMTPXSA-N |
| Molecular Weight | 577.597 g/mol |
| SMILES | C1=2N(C=NC2C(NC(=O)C2=CC=CC=C2)=NC=N1)[C@@]1(O[C@](COC(OCC2C=3C(=CC=CC3)C=3C2=CC=CC3)=O)([C@](C1)(O)[H])[H])[H] |