| SpectraBase Compound ID | 5opLIpUwEHl |
|---|---|
| InChI | InChI=1S/C16H22O2/c17-16-11-6-10-15(16)9-4-5-12-18-13-14-7-2-1-3-8-14/h1-3,7-8,15H,4-6,9-13H2 |
| InChIKey | WMKZHLMXMZCABZ-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 | EIK0K3f4Ly2 |
|---|---|
| Name | 2-(4-Benzyloxybutyl)cyclopentanone |
| 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/c17-16-11-6-10-15(16)9-4-5-12-18-13-14-7-2-1-3-8-14/h1-3,7-8,15H,4-6,9-13H2 |
| InChIKey | WMKZHLMXMZCABZ-UHFFFAOYSA-N |
| Molecular Weight | 246.350 g/mol |
| SMILES | C1(C(CCC1)CCCCOCC=1C=CC=CC1)=O |