| SpectraBase Compound ID | 7ik0f9CKwKM |
|---|---|
| InChI | InChI=1S/C22H42O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-25-20(23)18-21(24)26-19(2)22(3,4)5/h19H,6-18H2,1-5H3 |
| InChIKey | YKGDHOQDRVRDSB-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 | EMPwXeGpN5J |
|---|---|
| Name | Malonic acid, 3,3-dimethylbut-2-yl tridecyl 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/c1-6-7-8-9-10-11-12-13-14-15-16-17-25-20(23)18-21(24)26-19(2)22(3,4)5/h19H,6-18H2,1-5H3 |
| InChIKey | YKGDHOQDRVRDSB-UHFFFAOYSA-N |
| Molecular Weight | 370.574 g/mol |
| SMILES | C(CC(OC(C(C)(C)C)C)=O)(OCCCCCCCCCCCCC)=O |