| SpectraBase Compound ID | FVX1RwmWtUX |
|---|---|
| InChI | InChI=1S/C12H15NO4/c1-8(17-2)10(12(15)16)13-11(14)9-6-4-3-5-7-9/h3-8,10H,1-2H3,(H,13,14)(H,15,16) |
| InChIKey | ZRRFZADKYTXPJU-UHFFFAOYSA-N |
| Mol Weight | 237.25 g/mol |
| Molecular Formula | C12H15NO4 |
| Exact Mass | 237.100108 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C6ZE199MWES |
|---|---|
| Name | N-Benzoyl-D-threo-o-methylthreonine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 237.100107963 u |
| Formula | C12H15NO4 |
| InChI | InChI=1S/C12H15NO4/c1-8(17-2)10(12(15)16)13-11(14)9-6-4-3-5-7-9/h3-8,10H,1-2H3,(H,13,14)(H,15,16) |
| InChIKey | ZRRFZADKYTXPJU-UHFFFAOYSA-N |
| Molecular Weight | 237.255 g/mol |
| SMILES | C1=CC=C(C=C1)C(NC(C(C)OC)C(O)=O)=O |