| SpectraBase Compound ID | KSpfW4inlo1 |
|---|---|
| InChI | InChI=1S/C12H12O3/c1-9(13)3-8-12(14)10-4-6-11(15-2)7-5-10/h3-8H,1-2H3/b8-3+ |
| InChIKey | GIQXKXZJIBTVEQ-FPYGCLRLSA-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 | 1vBPRCkT7FZ |
|---|---|
| Name | (E)-1-(4-Methoxyphenyl)pent-2-ene-1,4-dione |
| 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/c1-9(13)3-8-12(14)10-4-6-11(15-2)7-5-10/h3-8H,1-2H3/b8-3+ |
| InChIKey | GIQXKXZJIBTVEQ-FPYGCLRLSA-N |
| Molecular Weight | 204.225 g/mol |
| SMILES | C(\C=C\C(=O)C)(C=1C=CC(=CC1)OC)=O |