| SpectraBase Compound ID | 2QzSXHEPCRY |
|---|---|
| InChI | InChI=1S/C21H38O2/c1-3-5-7-9-11-13-15-17-19-21(22)23-20-18-16-14-12-10-8-6-4-2/h1H,4-20H2,2H3 |
| InChIKey | WIBJHNGPNUHEMK-UHFFFAOYSA-N |
| Mol Weight | 322.5 g/mol |
| Molecular Formula | C21H38O2 |
| Exact Mass | 322.28718 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E9h91GGoPBl |
|---|---|
| Name | Undec-10-ynoic acid, decyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.287180462 u |
| Formula | C21H38O2 |
| InChI | InChI=1S/C21H38O2/c1-3-5-7-9-11-13-15-17-19-21(22)23-20-18-16-14-12-10-8-6-4-2/h1H,4-20H2,2H3 |
| InChIKey | WIBJHNGPNUHEMK-UHFFFAOYSA-N |
| Molecular Weight | 322.533 g/mol |
| SMILES | C(CCCC(OCCCCCCCCCC)=O)CCCCC#C |