| SpectraBase Compound ID | KxpIlu8rhg7 |
|---|---|
| InChI | InChI=1S/C11H12O4/c1-7(2)15-11(12)8-3-4-9-10(5-8)14-6-13-9/h3-5,7H,6H2,1-2H3 |
| InChIKey | YVDKGPTVSMEOCL-UHFFFAOYSA-N |
| Mol Weight | 208.21 g/mol |
| Molecular Formula | C11H12O4 |
| Exact Mass | 208.073559 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 97KC4OjbRKo |
|---|---|
| Name | Isopropyl-3,4-methylenedioxy benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.073558862 u |
| Formula | C11H12O4 |
| InChI | InChI=1S/C11H12O4/c1-7(2)15-11(12)8-3-4-9-10(5-8)14-6-13-9/h3-5,7H,6H2,1-2H3 |
| InChIKey | YVDKGPTVSMEOCL-UHFFFAOYSA-N |
| Molecular Weight | 208.213 g/mol |
| SMILES | C1=2C(=CC=C(C(OC(C)C)=O)C2)OCO1 |