| SpectraBase Compound ID | CzwIURGpA2h |
|---|---|
| InChI | InChI=1S/C31H60O4/c1-5-9-11-13-15-17-19-21-23-25-27-34-29(32)31(7-3,8-4)30(33)35-28-26-24-22-20-18-16-14-12-10-6-2/h5-28H2,1-4H3 |
| InChIKey | FNOXGCICFGUTLY-UHFFFAOYSA-N |
| Mol Weight | 496.8 g/mol |
| Molecular Formula | C31H60O4 |
| Exact Mass | 496.44916 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7oVWYv2QZTA |
|---|---|
| Name | Diethylmalonic acid, didodecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 496.449160408 u |
| Formula | C31H60O4 |
| InChI | InChI=1S/C31H60O4/c1-5-9-11-13-15-17-19-21-23-25-27-34-29(32)31(7-3,8-4)30(33)35-28-26-24-22-20-18-16-14-12-10-6-2/h5-28H2,1-4H3 |
| InChIKey | FNOXGCICFGUTLY-UHFFFAOYSA-N |
| Molecular Weight | 496.817 g/mol |
| SMILES | CCC(C(OCCCCCCCCCCCC)=O)(C(OCCCCCCCCCCCC)=O)CC |