| SpectraBase Compound ID | 6RzPx5Tb98N |
|---|---|
| InChI | InChI=1S/C12H18O3/c1-10-4-2-3-5-12(14)15-9-8-11(13)7-6-10/h4H,2-3,5-9H2,1H3/b10-4- |
| InChIKey | RTGKDJPRUBDLHF-WMZJFQQLSA-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 | HbxX9s2kz4O |
|---|---|
| Name | 1-Oxacyclododec-6-ene-2,10-dione, 7-methyl- |
| 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/c1-10-4-2-3-5-12(14)15-9-8-11(13)7-6-10/h4H,2-3,5-9H2,1H3/b10-4- |
| InChIKey | RTGKDJPRUBDLHF-WMZJFQQLSA-N |
| Molecular Weight | 210.273 g/mol |
| SMILES | C1(=O)CCOC(CCC\C=C\(C)CC1)=O |