| SpectraBase Compound ID | DrgQC7ASZjB |
|---|---|
| InChI | InChI=1S/C16H22O3/c1-2-19-16(17)10-8-14-18-13-7-5-3-4-6-9-15-11-12-15/h8-10H,2-4,6,11-14H2,1H3/b10-8+ |
| InChIKey | CSYHARUTJDAIKK-CSKARUKUSA-N |
| Mol Weight | 262.35 g/mol |
| Molecular Formula | C16H22O3 |
| Exact Mass | 262.156895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hpu5C7x36Z6 |
|---|---|
| Name | (E)-Ethyl 4-((7-cyclopropylidenehept-2-yn-1-yl)oxy)but-2-enoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.156894565 u |
| Formula | C16H22O3 |
| InChI | InChI=1S/C16H22O3/c1-2-19-16(17)10-8-14-18-13-7-5-3-4-6-9-15-11-12-15/h8-10H,2-4,6,11-14H2,1H3/b10-8+ |
| InChIKey | CSYHARUTJDAIKK-CSKARUKUSA-N |
| Molecular Weight | 262.349 g/mol |
| SMILES | C(C#CCOC\C=C\C(OCC)=O)CCC=C1CC1 |