| SpectraBase Compound ID | 1X14Rtu40ju |
|---|---|
| InChI | InChI=1S/C12H22O2/c1-2-3-4-7-10-14-12(13)11-8-5-6-9-11/h11H,2-10H2,1H3 |
| InChIKey | KUTMNMMSPSPXNZ-UHFFFAOYSA-N |
| Mol Weight | 198.31 g/mol |
| Molecular Formula | C12H22O2 |
| Exact Mass | 198.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HBFRZRe0iNH |
|---|---|
| Name | Cyclopentanecarboxylic acid, hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.161979946 u |
| Formula | C12H22O2 |
| InChI | InChI=1S/C12H22O2/c1-2-3-4-7-10-14-12(13)11-8-5-6-9-11/h11H,2-10H2,1H3 |
| InChIKey | KUTMNMMSPSPXNZ-UHFFFAOYSA-N |
| Molecular Weight | 198.306 g/mol |
| SMILES | CCCCCCOC(=O)C1CCCC1 |