| SpectraBase Compound ID | Gn0Mrn4s47H |
|---|---|
| InChI | InChI=1S/C16H22O2/c1-2-3-6-13-9-11-14(12-10-13)16(17)18-15-7-4-5-8-15/h9-12,15H,2-8H2,1H3 |
| InChIKey | VYXIYVDSKBJLRV-UHFFFAOYSA-N |
| Mol Weight | 246.35 g/mol |
| Molecular Formula | C16H22O2 |
| Exact Mass | 246.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ju7RZksqI7 |
|---|---|
| Name | 4-N-Butylbenzoic acid, cyclopentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.161979946 u |
| Formula | C16H22O2 |
| InChI | InChI=1S/C16H22O2/c1-2-3-6-13-9-11-14(12-10-13)16(17)18-15-7-4-5-8-15/h9-12,15H,2-8H2,1H3 |
| InChIKey | VYXIYVDSKBJLRV-UHFFFAOYSA-N |
| Molecular Weight | 246.350 g/mol |
| SMILES | C1(CCCC1)OC(C=1C=CC(CCCC)=CC1)=O |