| SpectraBase Compound ID | 6A24hGOQTZC |
|---|---|
| InChI | InChI=1S/C9H11NO5/c10-7(9(14)15)8(13)4-1-2-5(11)6(12)3-4/h1-3,7-8,11-13H,10H2,(H,14,15)/t7-,8+/m0/s1 |
| InChIKey | QXWYKJLNLSIPIN-JGVFFNPUSA-N |
| Mol Weight | 213.19 g/mol |
| Molecular Formula | C9H11NO5 |
| Exact Mass | 213.063722 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5nPqYUR4Icl |
|---|---|
| Name | dl-Dops (dl-threo-3,4-dihydroxy-phenylserine) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 213.063722453 u |
| Formula | C9H11NO5 |
| InChI | InChI=1S/C9H11NO5/c10-7(9(14)15)8(13)4-1-2-5(11)6(12)3-4/h1-3,7-8,11-13H,10H2,(H,14,15)/t7-,8+/m0/s1 |
| InChIKey | QXWYKJLNLSIPIN-JGVFFNPUSA-N |
| Molecular Weight | 213.189 g/mol |
| SMILES | [C@@]([C@@](C=1C=C(O)C(=CC1)O)(O)[H])(C(=O)O)(N)[H] |