| SpectraBase Compound ID | 8qu2VYjZHVp |
|---|---|
| InChI | InChI=1S/C12H22O2/c1-3-4-9-12(13)14-10(2)11-7-5-6-8-11/h10-11H,3-9H2,1-2H3 |
| InChIKey | RLRGXUAEFBUUNP-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 | 7OWWRdRoAXv |
|---|---|
| Name | Pentanoic acid, 1-cyclopentylethyl 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/c1-3-4-9-12(13)14-10(2)11-7-5-6-8-11/h10-11H,3-9H2,1-2H3 |
| InChIKey | RLRGXUAEFBUUNP-UHFFFAOYSA-N |
| Molecular Weight | 198.306 g/mol |
| SMILES | C1C(CCC1)C(OC(CCCC)=O)C |