| SpectraBase Compound ID | 7kIrn6L5lLm |
|---|---|
| InChI | InChI=1S/C27H50O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-23-30-26(28)21-18-22-27(29)31-24-25-19-15-14-16-20-25/h25H,2-24H2,1H3 |
| InChIKey | AFEHGFBULMZUQY-UHFFFAOYSA-N |
| Mol Weight | 438.7 g/mol |
| Molecular Formula | C27H50O4 |
| Exact Mass | 438.37091 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JZ3a9eLnrjc |
|---|---|
| Name | Glutaric acid, cyclohexylmethyl pentadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 438.370910086 u |
| Formula | C27H50O4 |
| InChI | InChI=1S/C27H50O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-23-30-26(28)21-18-22-27(29)31-24-25-19-15-14-16-20-25/h25H,2-24H2,1H3 |
| InChIKey | AFEHGFBULMZUQY-UHFFFAOYSA-N |
| Molecular Weight | 438.693 g/mol |
| SMILES | C(CCC(OCC1CCCCC1)=O)C(OCCCCCCCCCCCCCCC)=O |