| SpectraBase Compound ID | 9EPGWikpvqD |
|---|---|
| InChI | InChI=1S/C22H32O4/c1-2-18-25-21(23)16-10-5-3-4-6-11-17-22(24)26-19-12-15-20-13-8-7-9-14-20/h7-9,12-15H,2-6,10-11,16-19H2,1H3/b15-12+ |
| InChIKey | KRBXQYHJJKGMSK-NTCAYCPXSA-N |
| Mol Weight | 360.5 g/mol |
| Molecular Formula | C22H32O4 |
| Exact Mass | 360.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IbewyJZWr7H |
|---|---|
| Name | Sebacic acid, 3-phenylallyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 360.230059506 u |
| Formula | C22H32O4 |
| InChI | InChI=1S/C22H32O4/c1-2-18-25-21(23)16-10-5-3-4-6-11-17-22(24)26-19-12-15-20-13-8-7-9-14-20/h7-9,12-15H,2-6,10-11,16-19H2,1H3/b15-12+ |
| InChIKey | KRBXQYHJJKGMSK-NTCAYCPXSA-N |
| Molecular Weight | 360.494 g/mol |
| SMILES | C(CCCCCC(OC\C=C\C1=CC=CC=C1)=O)CCC(OCCC)=O |