| SpectraBase Compound ID | 2qGTfa4uOOT |
|---|---|
| InChI | InChI=1S/C25H42O2/c1-20-18-21(2)23(22(3)19-20)16-14-12-10-8-7-9-11-13-15-17-27-24(26)25(4,5)6/h18-19H,7-17H2,1-6H3 |
| InChIKey | RZPWWHNRIBYLDQ-UHFFFAOYSA-N |
| Mol Weight | 374.6 g/mol |
| Molecular Formula | C25H42O2 |
| Exact Mass | 374.318481 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KTv5KPxMDuC |
|---|---|
| Name | 11-Mesitylundecyl pivalate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 374.318480590 u |
| Formula | C25H42O2 |
| InChI | InChI=1S/C25H42O2/c1-20-18-21(2)23(22(3)19-20)16-14-12-10-8-7-9-11-13-15-17-27-24(26)25(4,5)6/h18-19H,7-17H2,1-6H3 |
| InChIKey | RZPWWHNRIBYLDQ-UHFFFAOYSA-N |
| Molecular Weight | 374.609 g/mol |
| SMILES | C(OCCCCCCCCCCCC=1C(=CC(C)=CC1C)C)(C(C)(C)C)=O |