| SpectraBase Compound ID | GKDQmmlgsm9 |
|---|---|
| InChI | InChI=1S/C16H22O2/c1-2-6-13-9-11-14(12-10-13)16(17)18-15-7-4-3-5-8-15/h9-12,15H,2-8H2,1H3 |
| InChIKey | DKCNFLCZNAYMBD-UHFFFAOYSA-N |
| Mol Weight | 246.35 g/mol |
| Molecular Formula | C16H22O2 |
| Exact Mass | 246.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 3ybqxS6caiR |
|---|---|
| Name | Cyclohexyl 4-propyl benzoate |
| 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/c1-2-6-13-9-11-14(12-10-13)16(17)18-15-7-4-3-5-8-15/h9-12,15H,2-8H2,1H3 |
| InChIKey | DKCNFLCZNAYMBD-UHFFFAOYSA-N |
| Molecular Weight | 246.350 g/mol |
| SMILES | C=1(C(OC2CCCCC2)=O)C=CC(=CC1)CCC |