| SpectraBase Compound ID | GXh38jHZTJV |
|---|---|
| InChI | InChI=1S/C18H19N5O6/c24-6-11-14(27)15(28)18(29-11)23-8-21-13-16(19-7-20-17(13)23)22-10-3-1-9(2-4-10)5-12(25)26/h1-4,7-8,11,14-15,18,24,27-28H,5-6H2,(H,25,26)(H,19,20,22)/t11-,14-,15-,18-/m1/s1 |
| InChIKey | GDUNTDCJAUFXGG-XKLVTHTNSA-N |
| Mol Weight | 401.38 g/mol |
| Molecular Formula | C18H19N5O6 |
| Exact Mass | 401.133533 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FbUjmsFE4gD |
|---|---|
| Name | Adenosine, N6-phenylacetic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 401.133533346 u |
| Formula | C18H19N5O6 |
| InChI | InChI=1S/C18H19N5O6/c24-6-11-14(27)15(28)18(29-11)23-8-21-13-16(19-7-20-17(13)23)22-10-3-1-9(2-4-10)5-12(25)26/h1-4,7-8,11,14-15,18,24,27-28H,5-6H2,(H,25,26)(H,19,20,22)/t11-,14-,15-,18-/m1/s1 |
| InChIKey | GDUNTDCJAUFXGG-XKLVTHTNSA-N |
| Molecular Weight | 401.379 g/mol |
| SMILES | C12=C(C(=NC=N2)NC2=CC=C(C=C2)CC(O)=O)N=CN1[C@@]1(O[C@@]([C@]([C@]1(O)[H])(O)[H])(CO)[H])[H] |