| SpectraBase Compound ID | 2xBr10kqyAx |
|---|---|
| InChI | InChI=1S/C14H18O2/c1-2-3-11-6-8-13(9-7-11)14(15)16-10-12-4-5-12/h6-9,12H,2-5,10H2,1H3 |
| InChIKey | GAVKVHSRVDUDBZ-UHFFFAOYSA-N |
| Mol Weight | 218.3 g/mol |
| Molecular Formula | C14H18O2 |
| Exact Mass | 218.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6shfDwKNvQa |
|---|---|
| Name | Cyclopropylmethyl 4-propylbenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.130679818 u |
| Formula | C14H18O2 |
| InChI | InChI=1S/C14H18O2/c1-2-3-11-6-8-13(9-7-11)14(15)16-10-12-4-5-12/h6-9,12H,2-5,10H2,1H3 |
| InChIKey | GAVKVHSRVDUDBZ-UHFFFAOYSA-N |
| Molecular Weight | 218.296 g/mol |
| SMILES | C=1(C(OCC2CC2)=O)C=CC(=CC1)CCC |