| SpectraBase Compound ID | F0N88O2gsJP |
|---|---|
| InChI | InChI=1S/C18H32O2/c1-3-5-7-9-10-11-12-14-16-18(19)20-17-15-13-8-6-4-2/h1H,4-17H2,2H3 |
| InChIKey | MKFIZUJFXMISMS-UHFFFAOYSA-N |
| Mol Weight | 280.5 g/mol |
| Molecular Formula | C18H32O2 |
| Exact Mass | 280.24023 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6U7vyUf55IO |
|---|---|
| Name | Undec-10-ynoic acid, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.240230268 u |
| Formula | C18H32O2 |
| InChI | InChI=1S/C18H32O2/c1-3-5-7-9-10-11-12-14-16-18(19)20-17-15-13-8-6-4-2/h1H,4-17H2,2H3 |
| InChIKey | MKFIZUJFXMISMS-UHFFFAOYSA-N |
| SMILES | C(CCCC(OCCCCCCC)=O)CCCCC#C |