| SpectraBase Compound ID | 3L4N8oMPfZQ |
|---|---|
| InChI | InChI=1S/C17H26O2/c1-8-14(18)19-15-12(16(2,3)4)10-9-11-13(15)17(5,6)7/h9-11H,8H2,1-7H3 |
| InChIKey | NIMVDHABYZODEL-UHFFFAOYSA-N |
| Mol Weight | 262.39 g/mol |
| Molecular Formula | C17H26O2 |
| Exact Mass | 262.19328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 98QyA5gYSa1 |
|---|---|
| Name | Ethyl (E)-.beta.-ionylideneacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.193280075 u |
| Formula | C17H26O2 |
| InChI | InChI=1S/C17H26O2/c1-8-14(18)19-15-12(16(2,3)4)10-9-11-13(15)17(5,6)7/h9-11H,8H2,1-7H3 |
| InChIKey | NIMVDHABYZODEL-UHFFFAOYSA-N |
| Molecular Weight | 262.393 g/mol |
| SMILES | C1(=C(C(C)(C)C)C=CC=C1C(C)(C)C)OC(=O)CC |