| SpectraBase Compound ID | 63qsqyscilI |
|---|---|
| InChI | InChI=1S/C22H42O4/c1-6-7-8-9-10-11-12-13-14-18-25-20(23)16-15-17-21(24)26-19(2)22(3,4)5/h19H,6-18H2,1-5H3 |
| InChIKey | CINPDBAHVOMKKY-UHFFFAOYSA-N |
| Mol Weight | 370.6 g/mol |
| Molecular Formula | C22H42O4 |
| Exact Mass | 370.30831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2YsvfnqbOtE |
|---|---|
| Name | Glutaric acid, 3,3-dimethylbut-2-yl undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 370.308309828 u |
| Formula | C22H42O4 |
| InChI | InChI=1S/C22H42O4/c1-6-7-8-9-10-11-12-13-14-18-25-20(23)16-15-17-21(24)26-19(2)22(3,4)5/h19H,6-18H2,1-5H3 |
| InChIKey | CINPDBAHVOMKKY-UHFFFAOYSA-N |
| Molecular Weight | 370.574 g/mol |
| SMILES | CC(OC(CCCC(OCCCCCCCCCCC)=O)=O)C(C)(C)C |