| SpectraBase Compound ID | CPzalLt6ai1 |
|---|---|
| InChI | InChI=1S/C23H36O4/c1-3-5-19-26-22(24)17-10-8-6-7-9-11-18-23(25)27-21-16-13-12-15-20(21)14-4-2/h12-13,15-16H,3-11,14,17-19H2,1-2H3 |
| InChIKey | XKSVTSSNTGPNNT-UHFFFAOYSA-N |
| Mol Weight | 376.5 g/mol |
| Molecular Formula | C23H36O4 |
| Exact Mass | 376.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FLRYJx6SMWY |
|---|---|
| Name | Sebacic acid, butyl 3-propylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 376.261359635 u |
| Formula | C23H36O4 |
| InChI | InChI=1S/C23H36O4/c1-3-5-19-26-22(24)17-10-8-6-7-9-11-18-23(25)27-21-16-13-12-15-20(21)14-4-2/h12-13,15-16H,3-11,14,17-19H2,1-2H3 |
| InChIKey | XKSVTSSNTGPNNT-UHFFFAOYSA-N |
| Molecular Weight | 376.537 g/mol |
| SMILES | C(CCCCCCCCC(OCCCC)=O)(OC=1C(CCC)=CC=CC1)=O |