| SpectraBase Compound ID | KusW3BG7ujs |
|---|---|
| InChI | InChI=1S/C12H12O2/c1-9-7-11(12(13)14-9)8-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3/b11-8+ |
| InChIKey | JZGQKCPTJCHLPF-DHZHZOJOSA-N |
| Mol Weight | 188.23 g/mol |
| Molecular Formula | C12H12O2 |
| Exact Mass | 188.08373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HrtRTDNKlwm |
|---|---|
| Name | (3E)-3-Benzal-5-methyl-tetrahydrofuran-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.083729624 u |
| Formula | C12H12O2 |
| InChI | InChI=1S/C12H12O2/c1-9-7-11(12(13)14-9)8-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3/b11-8+ |
| InChIKey | JZGQKCPTJCHLPF-DHZHZOJOSA-N |
| Molecular Weight | 188.226 g/mol |
| SMILES | C1(\C(CC(O1)C)=C\C1=CC=CC=C1)=O |