| SpectraBase Compound ID | x7nljsYaks |
|---|---|
| InChI | InChI=1S/C17H17N5O4.H2O/c23-7-12-11(24)6-13(26-12)22-9-20-14-15(18-8-19-16(14)22)21-17(25)10-4-2-1-3-5-10;/h1-5,8-9,11-13,23-24H,6-7H2,(H,18,19,21,25);1H2/t11-,12+,13+;/m0./s1 |
| InChIKey | WRMYMWRRSSDKIJ-LUHWTZLKSA-N |
| Mol Weight | 371.35 g/mol |
| Molecular Formula | C17H17N5O5 |
| Exact Mass | 371.122969 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | Cd2oL4qFOEA |
|---|---|
| Name | N6-Benzoyl-2'-deoxyadenosine hydrate |
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Catalog Number | 258466 |
| CAS Registry Number | 305808-19-9 |
| Copyright | Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H17N5O5 |
| InChI | 1S/C17H17N5O4.H2O/c23-7-12-11(24)6-13(26-12)22-9-20-14-15(18-8-19-16(14)22)21-17(25)10-4-2-1-3-5-10;/h1-5,8-9,11-13,23-24H,6-7H2,(H,18,19,21,25);1H2/t11-,12+,13+;/m0./s1 |
| InChIKey | WRMYMWRRSSDKIJ-LUHWTZLKSA-N |
| Observed nucleus | 1H |
| Purity | 98% |
| Solvent | DMSO-d6 |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Synonyms | N-Benzoyldeoxyadenosine |
| Wiley ID | SIAL_1HNMR_004494 |