| SpectraBase Compound ID | 8tgZptA1DK2 |
|---|---|
| InChI | InChI=1S/C12H14O4/c1-8(2)16-12(13)6-9-3-4-10-11(5-9)15-7-14-10/h3-5,8H,6-7H2,1-2H3 |
| InChIKey | PNGCJNRFEJPSJH-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 | CH2w4vpBi2R |
|---|---|
| Name | 3,4-Methylenedioxyphenylacetic acid, isopropyl 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/c1-8(2)16-12(13)6-9-3-4-10-11(5-9)15-7-14-10/h3-5,8H,6-7H2,1-2H3 |
| InChIKey | PNGCJNRFEJPSJH-UHFFFAOYSA-N |
| Molecular Weight | 222.240 g/mol |
| SMILES | C(CC1=CC2=C(C=C1)OCO2)(=O)OC(C)C |