| SpectraBase Compound ID | 3OtFhcGRnUB |
|---|---|
| InChI | InChI=1S/C13H18O5/c1-15-11(14)13(18-4,12(16-2)17-3)10-8-6-5-7-9-10/h5-9,12H,1-4H3/t13-/m1/s1 |
| InChIKey | LIUSTPCUKYPLGS-CYBMUJFWSA-N |
| Mol Weight | 254.28 g/mol |
| Molecular Formula | C13H18O5 |
| Exact Mass | 254.115424 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FV6rhaBDBmV |
|---|---|
| Name | (S)-Methyl 2,3,3-trimethoxy-2-phenylpropanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.115423675 u |
| Formula | C13H18O5 |
| InChI | InChI=1S/C13H18O5/c1-15-11(14)13(18-4,12(16-2)17-3)10-8-6-5-7-9-10/h5-9,12H,1-4H3/t13-/m1/s1 |
| InChIKey | LIUSTPCUKYPLGS-CYBMUJFWSA-N |
| Molecular Weight | 254.282 g/mol |
| SMILES | C1=CC=C(C=C1)[C@@](OC)(C(=O)OC)C(OC)OC |