| SpectraBase Compound ID | 1fcUjgg5hTp |
|---|---|
| InChI | InChI=1S/C16H28O2/c1-3-5-7-8-9-10-11-12-14-16(17)18-15-13-6-4-2/h1H,4-15H2,2H3 |
| InChIKey | HFRFJCGGYQZDME-UHFFFAOYSA-N |
| Mol Weight | 252.4 g/mol |
| Molecular Formula | C16H28O2 |
| Exact Mass | 252.20893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BLhsl2oRhEa |
|---|---|
| Name | Undec-10-ynoic acid, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.208930140 u |
| Formula | C16H28O2 |
| InChI | InChI=1S/C16H28O2/c1-3-5-7-8-9-10-11-12-14-16(17)18-15-13-6-4-2/h1H,4-15H2,2H3 |
| InChIKey | HFRFJCGGYQZDME-UHFFFAOYSA-N |
| Molecular Weight | 252.398 g/mol |
| SMILES | C(CCCC(OCCCCC)=O)CCCCC#C |