| SpectraBase Compound ID | JSdFm0kRa8A |
|---|---|
| InChI | InChI=1S/C12H17NO4/c1-12(13,11(15)17-3)7-8-4-5-9(14)10(6-8)16-2/h4-6,14H,7,13H2,1-3H3 |
| InChIKey | XPDPQUGQCOHVQQ-UHFFFAOYSA-N |
| Mol Weight | 239.27 g/mol |
| Molecular Formula | C12H17NO4 |
| Exact Mass | 239.115758 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5scvOktlkqc |
|---|---|
| Name | Methyldopa 2me P553 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 239.115758027 u |
| Formula | C12H17NO4 |
| InChI | InChI=1S/C12H17NO4/c1-12(13,11(15)17-3)7-8-4-5-9(14)10(6-8)16-2/h4-6,14H,7,13H2,1-3H3 |
| InChIKey | XPDPQUGQCOHVQQ-UHFFFAOYSA-N |
| Molecular Weight | 239.271 g/mol |
| SMILES | C(C(=O)OC)(CC1=CC(OC)=C(C=C1)O)(N)C |