| SpectraBase Compound ID | BSdhwa9cXuO |
|---|---|
| InChI | InChI=1S/C8H10N2O5/c11-2-1-3-15-7(13)5-4-6(12)10-8(14)9-5/h4,11H,1-3H2,(H2,9,10,12,14) |
| InChIKey | GEQZJQADZTZWBH-UHFFFAOYSA-N |
| Mol Weight | 214.18 g/mol |
| Molecular Formula | C8H10N2O5 |
| Exact Mass | 214.058971 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7KJ9hfCpT3m |
|---|---|
| Name | 3-Hydroxypropyl orotate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.058971425 u |
| Formula | C8H10N2O5 |
| InChI | InChI=1S/C8H10N2O5/c11-2-1-3-15-7(13)5-4-6(12)10-8(14)9-5/h4,11H,1-3H2,(H2,9,10,12,14) |
| InChIKey | GEQZJQADZTZWBH-UHFFFAOYSA-N |
| SMILES | C1(NC(C=C(N1)C(OCCCO)=O)=O)=O |