| SpectraBase Compound ID | IzsSoud5tL4 |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-4-23-19(21)11-9-7-5-6-8-10-12-20(22)24-18-15-16(2)13-14-17(18)3/h13-15H,4-12H2,1-3H3 |
| InChIKey | PBGSMRVFSDOHPH-UHFFFAOYSA-N |
| Mol Weight | 334.46 g/mol |
| Molecular Formula | C20H30O4 |
| Exact Mass | 334.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 31bdXRCJBoH |
|---|---|
| Name | Sebacic acid, 2,5-dimethylphenyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.214409442 u |
| Formula | C20H30O4 |
| InChI | InChI=1S/C20H30O4/c1-4-23-19(21)11-9-7-5-6-8-10-12-20(22)24-18-15-16(2)13-14-17(18)3/h13-15H,4-12H2,1-3H3 |
| InChIKey | PBGSMRVFSDOHPH-UHFFFAOYSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | C(CCCCC(OC=1C(C)=CC=C(C)C1)=O)CCCC(OCC)=O |