| SpectraBase Compound ID | HHLNpr7NoI9 |
|---|---|
| InChI | InChI=1S/C14H22O2/c1-4-13(15)16-8-7-10-5-6-11-9-12(10)14(11,2)3/h5,11-12H,4,6-9H2,1-3H3 |
| InChIKey | UHQXDKLOMGZPJS-UHFFFAOYSA-N |
| Mol Weight | 222.33 g/mol |
| Molecular Formula | C14H22O2 |
| Exact Mass | 222.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bs1XK0gmELK |
|---|---|
| Name | Nopyl propanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.161979946 u |
| Formula | C14H22O2 |
| InChI | InChI=1S/C14H22O2/c1-4-13(15)16-8-7-10-5-6-11-9-12(10)14(11,2)3/h5,11-12H,4,6-9H2,1-3H3 |
| InChIKey | UHQXDKLOMGZPJS-UHFFFAOYSA-N |
| Molecular Weight | 222.328 g/mol |
| SMILES | C1C2C(=CCC1C2(C)C)CCOC(=O)CC |