| SpectraBase Compound ID | 9zqugMYBg3m |
|---|---|
| InChI | InChI=1S/C12H15NO4/c1-12(2,11(16)17)13-10(15)9(14)8-6-4-3-5-7-8/h3-7,9,14H,1-2H3,(H,13,15)(H,16,17) |
| InChIKey | OOSUIQGDKOBABH-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 | FRUCE0ASChV |
|---|---|
| Name | 2-(Mandeloylamino)-2-methyl-propionic acid |
| 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/c1-12(2,11(16)17)13-10(15)9(14)8-6-4-3-5-7-8/h3-7,9,14H,1-2H3,(H,13,15)(H,16,17) |
| InChIKey | OOSUIQGDKOBABH-UHFFFAOYSA-N |
| Molecular Weight | 237.255 g/mol |
| SMILES | C(NC(C(=O)O)(C)C)(C(C1=CC=CC=C1)O)=O |