| SpectraBase Compound ID | 2Sj8X7nWBbg |
|---|---|
| InChI | InChI=1S/C17H34O2/c1-7-9-10-15(8-2)13-19-16(18)11-14(3)12-17(4,5)6/h14-15H,7-13H2,1-6H3 |
| InChIKey | LCVHZNSIAYNAGX-UHFFFAOYSA-N |
| Mol Weight | 270.5 g/mol |
| Molecular Formula | C17H34O2 |
| Exact Mass | 270.25588 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BpnEZ6YYzDN |
|---|---|
| Name | Hexanoic acid, 3,5,5-trimethyl-, 2-ethylhexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.255880333 u |
| Formula | C17H34O2 |
| InChI | InChI=1S/C17H34O2/c1-7-9-10-15(8-2)13-19-16(18)11-14(3)12-17(4,5)6/h14-15H,7-13H2,1-6H3 |
| InChIKey | LCVHZNSIAYNAGX-UHFFFAOYSA-N |
| Molecular Weight | 270.457 g/mol |
| SMILES | C(CC(OCC(CCCC)CC)=O)(CC(C)(C)C)C |