| SpectraBase Compound ID | 7S1IlqFa0Tu |
|---|---|
| InChI | InChI=1S/C12H18O3/c1-4-5-6-7-8-14-12-10(3)15-9(2)11(12)13/h5-6,9H,4,7-8H2,1-3H3/b6-5+ |
| InChIKey | MMUPBVLKMLEXCF-AATRIKPKSA-N |
| Mol Weight | 210.27 g/mol |
| Molecular Formula | C12H18O3 |
| Exact Mass | 210.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ExUS62tl5rn |
|---|---|
| Name | 2,5-Dimethyl-4-(3-hexenoyl)-3(3H)furanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.125594437 u |
| Formula | C12H18O3 |
| InChI | InChI=1S/C12H18O3/c1-4-5-6-7-8-14-12-10(3)15-9(2)11(12)13/h5-6,9H,4,7-8H2,1-3H3/b6-5+ |
| InChIKey | MMUPBVLKMLEXCF-AATRIKPKSA-N |
| Molecular Weight | 210.273 g/mol |
| SMILES | C1(=C(OC(C1=O)C)C)OCC\C=C\CC |