| SpectraBase Compound ID | 3NlwbIMxHS9 |
|---|---|
| InChI | InChI=1S/C25H48O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-21-28-24(26)18-19-25(27)29-22-20-23(3)5-2/h23H,4-22H2,1-3H3 |
| InChIKey | OEIMMKYWNNAKCE-UHFFFAOYSA-N |
| Mol Weight | 412.7 g/mol |
| Molecular Formula | C25H48O4 |
| Exact Mass | 412.35526 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5O5kP26yBqW |
|---|---|
| Name | Succinic acid, 3-methylpentyl pentadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 412.355260022 u |
| Formula | C25H48O4 |
| InChI | InChI=1S/C25H48O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-21-28-24(26)18-19-25(27)29-22-20-23(3)5-2/h23H,4-22H2,1-3H3 |
| InChIKey | OEIMMKYWNNAKCE-UHFFFAOYSA-N |
| Molecular Weight | 412.655 g/mol |
| SMILES | C(CC(OCCC(C)CC)=O)C(OCCCCCCCCCCCCCCC)=O |