| SpectraBase Compound ID | BB6BwESVV2b |
|---|---|
| InChI | InChI=1S/C18H28O2/c1-4-15(5-2)12-13-17(6-3)20-18(19)14-16-10-8-7-9-11-16/h7-11,15,17H,4-6,12-14H2,1-3H3 |
| InChIKey | XVUJVCFWWKASMV-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 | 5WFlBr3cMh0 |
|---|---|
| Name | Benzeneacetic acid, 6-ethyl-3-octyl 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/c1-4-15(5-2)12-13-17(6-3)20-18(19)14-16-10-8-7-9-11-16/h7-11,15,17H,4-6,12-14H2,1-3H3 |
| InChIKey | XVUJVCFWWKASMV-UHFFFAOYSA-N |
| Molecular Weight | 276.420 g/mol |
| SMILES | C(CCC(CC)CC)(OC(=O)CC=1C=CC=CC1)CC |