| SpectraBase Compound ID | 2xy1so2Scd7 |
|---|---|
| InChI | InChI=1S/C12H14O4/c1-2-14-12(13)6-4-9-3-5-10-11(7-9)16-8-15-10/h3,5,7H,2,4,6,8H2,1H3 |
| InChIKey | SHFDGDJEJOHKSV-UHFFFAOYSA-N |
| Mol Weight | 222.24 g/mol |
| Molecular Formula | C12H14O4 |
| Exact Mass | 222.089209 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DZF4037n4Pe |
|---|---|
| Name | 1,3-Benzodioxole-5-propanoic acid, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.089208927 u |
| Formula | C12H14O4 |
| InChI | InChI=1S/C12H14O4/c1-2-14-12(13)6-4-9-3-5-10-11(7-9)16-8-15-10/h3,5,7H,2,4,6,8H2,1H3 |
| InChIKey | SHFDGDJEJOHKSV-UHFFFAOYSA-N |
| Molecular Weight | 222.240 g/mol |
| SMILES | C1=CC(CCC(OCC)=O)=CC2=C1OCO2 |