| SpectraBase Compound ID | 15B1Zfdlxu8 |
|---|---|
| InChI | InChI=1S/C21H32O4/c1-4-24-20(22)15-9-7-5-6-8-10-16-21(23)25-19-14-12-11-13-18(19)17(2)3/h11-14,17H,4-10,15-16H2,1-3H3 |
| InChIKey | GVHAKGLTSDGHPI-UHFFFAOYSA-N |
| Mol Weight | 348.5 g/mol |
| Molecular Formula | C21H32O4 |
| Exact Mass | 348.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GZhVER7xPIq |
|---|---|
| Name | Sebacic acid, ethyl 2-isopropylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.230059506 u |
| Formula | C21H32O4 |
| InChI | InChI=1S/C21H32O4/c1-4-24-20(22)15-9-7-5-6-8-10-16-21(23)25-19-14-12-11-13-18(19)17(2)3/h11-14,17H,4-10,15-16H2,1-3H3 |
| InChIKey | GVHAKGLTSDGHPI-UHFFFAOYSA-N |
| Molecular Weight | 348.483 g/mol |
| SMILES | C(CCCCCCCC(OC=1C(C(C)C)=CC=CC1)=O)C(OCC)=O |