| SpectraBase Compound ID | IMORqHczG7C |
|---|---|
| InChI | InChI=1S/C12H16O4/c1-14-10-5-6-11(15-2)9(8-10)4-7-12(13)16-3/h5-6,8H,4,7H2,1-3H3 |
| InChIKey | XREGTKPNEYVQRA-UHFFFAOYSA-N |
| Mol Weight | 224.26 g/mol |
| Molecular Formula | C12H16O4 |
| Exact Mass | 224.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EgoEl7IYA1d |
|---|---|
| Name | Benzenepropanoic acid, 2,5-dimethoxy-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.104858991 u |
| Formula | C12H16O4 |
| InChI | InChI=1S/C12H16O4/c1-14-10-5-6-11(15-2)9(8-10)4-7-12(13)16-3/h5-6,8H,4,7H2,1-3H3 |
| InChIKey | XREGTKPNEYVQRA-UHFFFAOYSA-N |
| Molecular Weight | 224.256 g/mol |
| SMILES | C=1(C(=CC=C(C1)OC)OC)CCC(=O)OC |