| SpectraBase Compound ID | 9ehNSyn3fA9 |
|---|---|
| InChI | InChI=1S/C18H26O4/c1-2-21-17(19)14-10-5-3-4-6-11-15-18(20)22-16-12-8-7-9-13-16/h7-9,12-13H,2-6,10-11,14-15H2,1H3 |
| InChIKey | OUMXYLSUMVEGSJ-UHFFFAOYSA-N |
| Mol Weight | 306.4 g/mol |
| Molecular Formula | C18H26O4 |
| Exact Mass | 306.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5lESsxIg6aR |
|---|---|
| Name | Sebacic acid, ethyl phenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.183109313 u |
| Formula | C18H26O4 |
| InChI | InChI=1S/C18H26O4/c1-2-21-17(19)14-10-5-3-4-6-11-15-18(20)22-16-12-8-7-9-13-16/h7-9,12-13H,2-6,10-11,14-15H2,1H3 |
| InChIKey | OUMXYLSUMVEGSJ-UHFFFAOYSA-N |
| Molecular Weight | 306.402 g/mol |
| SMILES | C(CCCCC(OC1=CC=CC=C1)=O)CCCC(OCC)=O |