| SpectraBase Compound ID | LAJSqrfLtAL |
|---|---|
| InChI | InChI=1S/C10H8O2/c1-2-9-7-5-3-4-6-8(7)10(11)12-9/h2-6H,1H3/b9-2+ |
| InChIKey | FLOWXWKOKRXGBR-XNWCZRBMSA-N |
| Mol Weight | 160.17 g/mol |
| Molecular Formula | C10H8O2 |
| Exact Mass | 160.052429 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JQqldzkNzXJ |
|---|---|
| Name | (E)-3-Ethylidenephthalide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 160.052429496 u |
| Formula | C10H8O2 |
| InChI | InChI=1S/C10H8O2/c1-2-9-7-5-3-4-6-8(7)10(11)12-9/h2-6H,1H3/b9-2+ |
| InChIKey | FLOWXWKOKRXGBR-XNWCZRBMSA-N |
| Molecular Weight | 160.172 g/mol |
| SMILES | C1(O\C(=C\C)C2=C1C=CC=C2)=O |