| SpectraBase Compound ID | EfPDJSJesS8 |
|---|---|
| InChI | InChI=1S/C13H14O4/c14-13(17-10-3-1-2-4-10)9-5-6-11-12(7-9)16-8-15-11/h5-7,10H,1-4,8H2 |
| InChIKey | MENIXCHHWBLBJR-UHFFFAOYSA-N |
| Mol Weight | 234.25 g/mol |
| Molecular Formula | C13H14O4 |
| Exact Mass | 234.089209 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CYnGACLtwRj |
|---|---|
| Name | Cyclopentyl-3,4-methylenedioxy benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.089208927 u |
| Formula | C13H14O4 |
| InChI | InChI=1S/C13H14O4/c14-13(17-10-3-1-2-4-10)9-5-6-11-12(7-9)16-8-15-11/h5-7,10H,1-4,8H2 |
| InChIKey | MENIXCHHWBLBJR-UHFFFAOYSA-N |
| Molecular Weight | 234.251 g/mol |
| SMILES | C=12C(=CC=C(C(OC3CCCC3)=O)C1)OCO2 |