| SpectraBase Compound ID | 5n6Yo0onxBJ |
|---|---|
| InChI | InChI=1S/C12H16O4/c1-14-10-6-4-5-9(12(10)16-3)7-8-11(13)15-2/h4-6H,7-8H2,1-3H3 |
| InChIKey | RHAIIOHVHKOIFR-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 | 564Q5X1E2TW |
|---|---|
| Name | Benzenepropanoic acid, 2,3-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/c1-14-10-6-4-5-9(12(10)16-3)7-8-11(13)15-2/h4-6H,7-8H2,1-3H3 |
| InChIKey | RHAIIOHVHKOIFR-UHFFFAOYSA-N |
| Molecular Weight | 224.256 g/mol |
| SMILES | C=1(C(CCC(=O)OC)=CC=CC1OC)OC |