| SpectraBase Compound ID | 25g4tTF0hxX |
|---|---|
| InChI | InChI=1S/C28H52O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-25-31-27(29)23-24-28(30)32-26-21-18-15-16-19-22-26/h26H,2-25H2,1H3 |
| InChIKey | CVIPCIMMTQDRHC-UHFFFAOYSA-N |
| Mol Weight | 452.7 g/mol |
| Molecular Formula | C28H52O4 |
| Exact Mass | 452.38656 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B5DvqqrmsUs |
|---|---|
| Name | Succinic acid, cycloheptyl heptadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 452.386560150 u |
| Formula | C28H52O4 |
| InChI | InChI=1S/C28H52O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-25-31-27(29)23-24-28(30)32-26-21-18-15-16-19-22-26/h26H,2-25H2,1H3 |
| InChIKey | CVIPCIMMTQDRHC-UHFFFAOYSA-N |
| Molecular Weight | 452.720 g/mol |
| SMILES | C(CCCCCOC(CCC(OC1CCCCCC1)=O)=O)CCCCCCCCCCC |