| SpectraBase Compound ID | AJ6GeBvD5xx |
|---|---|
| InChI | InChI=1S/C18H28O2/c1-3-4-5-6-7-8-9-17-10-12-18(13-11-17)14-15-20-16(2)19/h10-13H,3-9,14-15H2,1-2H3 |
| InChIKey | GBRYLJCBBFSRPK-UHFFFAOYSA-N |
| Mol Weight | 276.42 g/mol |
| Molecular Formula | C18H28O2 |
| Exact Mass | 276.20893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1p7PXyFNOVy |
|---|---|
| Name | Acetic acid 2-(4-octylphenyl)ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.208930140 u |
| Formula | C18H28O2 |
| InChI | InChI=1S/C18H28O2/c1-3-4-5-6-7-8-9-17-10-12-18(13-11-17)14-15-20-16(2)19/h10-13H,3-9,14-15H2,1-2H3 |
| InChIKey | GBRYLJCBBFSRPK-UHFFFAOYSA-N |
| Molecular Weight | 276.420 g/mol |
| SMILES | C(=O)(OCCC=1C=CC(=CC1)CCCCCCCC)C |