| SpectraBase Compound ID | 5zrgyuFWpiV |
|---|---|
| InChI | InChI=1S/C12H14O4/c1-3-12(13)16-8(2)9-4-5-10-11(6-9)15-7-14-10/h4-6,8H,3,7H2,1-2H3 |
| InChIKey | DYSDHRQLTBXNTQ-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 | 43JDGof9V0s |
|---|---|
| Name | 1-Propanoyloxy-1-(3,4-methylenedioxyphenyl)ethane |
| 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/c1-3-12(13)16-8(2)9-4-5-10-11(6-9)15-7-14-10/h4-6,8H,3,7H2,1-2H3 |
| InChIKey | DYSDHRQLTBXNTQ-UHFFFAOYSA-N |
| Molecular Weight | 222.240 g/mol |
| SMILES | C(C)(C=1C=C2C(=CC1)OCO2)OC(CC)=O |