| SpectraBase Compound ID | 6vDdkLHpBI7 |
|---|---|
| InChI | InChI=1S/C16H12O5/c1-19-16(18)11-4-2-3-10(5-11)13-7-15-14(20-9-21-15)6-12(13)8-17/h2-8H,9H2,1H3 |
| InChIKey | CWXNVZJUELMLLY-UHFFFAOYSA-N |
| Mol Weight | 284.27 g/mol |
| Molecular Formula | C16H12O5 |
| Exact Mass | 284.068473 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8JyVVVFUXaf |
|---|---|
| Name | Methyl 3-(1-formyl-3,4-methylenedioxy)benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.068473481 u |
| Formula | C16H12O5 |
| InChI | InChI=1S/C16H12O5/c1-19-16(18)11-4-2-3-10(5-11)13-7-15-14(20-9-21-15)6-12(13)8-17/h2-8H,9H2,1H3 |
| InChIKey | CWXNVZJUELMLLY-UHFFFAOYSA-N |
| SMILES | C1(=CC=CC(=C1)C=1C(C=O)=CC2=C(OCO2)C1)C(OC)=O |