| SpectraBase Compound ID | Jf71l98Lmux |
|---|---|
| InChI | InChI=1S/2C9H10O3/c2*1-12-9(11)8(10)7-5-3-2-4-6-7/h2*2-6,8,10H,1H3 |
| InChIKey | QYFPNDFLFFKFJA-UHFFFAOYSA-N |
| Mol Weight | 332.35 g/mol |
| Molecular Formula | C18H20O6 |
| Exact Mass | 332.125988 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JrcDvHop9Xx |
|---|---|
| Name | Mandelic acid, methyl ester, dl-, |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.125988358 u |
| Formula | C18H20O6 |
| InChI | InChI=1S/2C9H10O3/c2*1-12-9(11)8(10)7-5-3-2-4-6-7/h2*2-6,8,10H,1H3 |
| InChIKey | QYFPNDFLFFKFJA-UHFFFAOYSA-N |
| Molecular Weight | 332.352 g/mol |
| Nominal Mass | 332 u |
| SMILES | OC(C(OC)=O)C1=CC=CC=C1.COC(C(C1=CC=CC=C1)O)=O |