| SpectraBase Compound ID | 8uu9dgFP35A |
|---|---|
| InChI | InChI=1S/C22H44O2/c1-4-6-7-8-9-11-14-17-21(20(3)5-2)18-15-12-10-13-16-19-22(23)24/h20-21H,4-19H2,1-3H3,(H,23,24) |
| InChIKey | KRIBSYHCIYMAPI-UHFFFAOYSA-N |
| Mol Weight | 340.6 g/mol |
| Molecular Formula | C22H44O2 |
| Exact Mass | 340.334131 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jgvb1YFiDcW |
|---|---|
| Name | 9-sec-Butyloctadecanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.334130655 u |
| Formula | C22H44O2 |
| InChI | InChI=1S/C22H44O2/c1-4-6-7-8-9-11-14-17-21(20(3)5-2)18-15-12-10-13-16-19-22(23)24/h20-21H,4-19H2,1-3H3,(H,23,24) |
| InChIKey | KRIBSYHCIYMAPI-UHFFFAOYSA-N |
| Molecular Weight | 340.592 g/mol |
| SMILES | C(=O)(O)CCCCCCCC(C(CC)C)CCCCCCCCC |