| SpectraBase Compound ID | I0X7ZJEIPyz |
|---|---|
| InChI | InChI=1S/C20H32O2/c1-5-7-9-10-11-12-13-14-16-20(21)22-19(15-8-6-2)17-18(3)4/h1,18-19H,6-7,9-14,16-17H2,2-4H3 |
| InChIKey | VWPUMBYYXCXPPZ-UHFFFAOYSA-N |
| Mol Weight | 304.5 g/mol |
| Molecular Formula | C20H32O2 |
| Exact Mass | 304.24023 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BAEk8CvyAHY |
|---|---|
| Name | Undec-10-ynoic acid, 2-methyloct-5-yn-4-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.240230268 u |
| Formula | C20H32O2 |
| InChI | InChI=1S/C20H32O2/c1-5-7-9-10-11-12-13-14-16-20(21)22-19(15-8-6-2)17-18(3)4/h1,18-19H,6-7,9-14,16-17H2,2-4H3 |
| InChIKey | VWPUMBYYXCXPPZ-UHFFFAOYSA-N |
| Molecular Weight | 304.474 g/mol |
| SMILES | C(CCCC(OC(CC(C)C)C#CCC)=O)CCCCC#C |