![Adenosine, 4'-dehydroxymethyl-4'-[N-ethylaminoformyl]-N-[3-chlorobenzyl]-](/api/spectrum/3GbWmoSToQx/structure.png?h=300&w=458 "Adenosine, 4'-dehydroxymethyl-4'-[N-ethylaminoformyl]-N-[3-chlorobenzyl]-")
| SpectraBase Compound ID | 4Ca3iGQlew7 |
|---|---|
| InChI | InChI=1S/C19H21ClN6O4/c1-2-21-18(29)15-13(27)14(28)19(30-15)26-9-25-12-16(23-8-24-17(12)26)22-7-10-4-3-5-11(20)6-10/h3-6,8-9,13-15,19,27-28H,2,7H2,1H3,(H,21,29)(H,22,23,24)/t13-,14+,15-,19+/m0/s1 |
| InChIKey | DRYOMODYNGMXFC-QCUYGVNKSA-N |
| Mol Weight | 432.87 g/mol |
| Molecular Formula | C19H21ClN6O4 |
| Exact Mass | 432.131281 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3GbWmoSToQx |
|---|---|
| Name | Adenosine, 4'-dehydroxymethyl-4'-[N-ethylaminoformyl]-N-[3-chlorobenzyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 432.131280876 u |
| Formula | C19H21ClN6O4 |
| InChI | InChI=1S/C19H21ClN6O4/c1-2-21-18(29)15-13(27)14(28)19(30-15)26-9-25-12-16(23-8-24-17(12)26)22-7-10-4-3-5-11(20)6-10/h3-6,8-9,13-15,19,27-28H,2,7H2,1H3,(H,21,29)(H,22,23,24)/t13-,14+,15-,19+/m0/s1 |
| InChIKey | DRYOMODYNGMXFC-QCUYGVNKSA-N |
| Molecular Weight | 432.868 g/mol |
| SMILES | C1=NC(=C2C(=N1)N([C@]1([C@@]([C@@]([C@](O1)(C(NCC)=O)[H])(O)[H])(O)[H])[H])C=N2)NCC1=CC(=CC=C1)Cl |