| SpectraBase Compound ID | 7o72kJrxAI5 |
|---|---|
| InChI | InChI=1S/C12H12O3/c13-7-3-1-2-4-10-5-6-11-12(8-10)15-9-14-11/h1,3,5-8H,2,4,9H2/b3-1+ |
| InChIKey | OFIGOXBQAZUUHO-HNQUOIGGSA-N |
| Mol Weight | 204.22 g/mol |
| Molecular Formula | C12H12O3 |
| Exact Mass | 204.078644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2uh0LS6KGgw |
|---|---|
| Name | (E)-5-(1,3-Benzodioxol-5-yl)-2-pentenal |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.078644243 u |
| Formula | C12H12O3 |
| InChI | InChI=1S/C12H12O3/c13-7-3-1-2-4-10-5-6-11-12(8-10)15-9-14-11/h1,3,5-8H,2,4,9H2/b3-1+ |
| InChIKey | OFIGOXBQAZUUHO-HNQUOIGGSA-N |
| Molecular Weight | 204.225 g/mol |
| SMILES | C=1C2=C(C=C(C1)CC\C=C\C=O)OCO2 |