| SpectraBase Compound ID | 7rFOrzElWhn |
|---|---|
| InChI | InChI=1S/C13H18O3/c1-4-16-13(14)10(2)12(15-3)11-8-6-5-7-9-11/h5-10,12H,4H2,1-3H3 |
| InChIKey | BRPMFKRNBIARJA-UHFFFAOYSA-N |
| Mol Weight | 222.28 g/mol |
| Molecular Formula | C13H18O3 |
| Exact Mass | 222.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7OpHH4BB0vA |
|---|---|
| Name | Erythro-ethyl 3-methoxy-2-methyl-3-phenylpropanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.125594437 u |
| Formula | C13H18O3 |
| InChI | InChI=1S/C13H18O3/c1-4-16-13(14)10(2)12(15-3)11-8-6-5-7-9-11/h5-10,12H,4H2,1-3H3 |
| InChIKey | BRPMFKRNBIARJA-UHFFFAOYSA-N |
| Molecular Weight | 222.284 g/mol |
| SMILES | C(C(C(OC)C1=CC=CC=C1)C)(=O)OCC |