| SpectraBase Compound ID | 8vsvzoX0gM1 |
|---|---|
| InChI | InChI=1S/C18H34O2/c1-7-9-11-13-14(12-10-8-2)20-16(19)15-17(3,4)18(15,5)6/h14-15H,7-13H2,1-6H3 |
| InChIKey | XWOOVKWKNRZJGL-UHFFFAOYSA-N |
| Mol Weight | 282.5 g/mol |
| Molecular Formula | C18H34O2 |
| Exact Mass | 282.25588 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2xenBYwmkId |
|---|---|
| Name | 2,2,3,3-Tetramethylcyclopropanecarboxylic acid, 1-butylhexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.255880333 u |
| Formula | C18H34O2 |
| InChI | InChI=1S/C18H34O2/c1-7-9-11-13-14(12-10-8-2)20-16(19)15-17(3,4)18(15,5)6/h14-15H,7-13H2,1-6H3 |
| InChIKey | XWOOVKWKNRZJGL-UHFFFAOYSA-N |
| Molecular Weight | 282.468 g/mol |
| SMILES | C1(C(C)(C)C1(C)C)C(OC(CCCCC)CCCC)=O |