| SpectraBase Compound ID | IwggWpjWctc |
|---|---|
| InChI | InChI=1S/C22H34O5/c1-4-17-25-21(23)11-9-7-5-6-8-10-12-22(24)27-20-15-13-19(14-16-20)26-18(2)3/h13-16,18H,4-12,17H2,1-3H3 |
| InChIKey | YDGMPBPHQGJFDK-UHFFFAOYSA-N |
| Mol Weight | 378.5 g/mol |
| Molecular Formula | C22H34O5 |
| Exact Mass | 378.240624 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EFcpkYqHvs6 |
|---|---|
| Name | Sebacic acid, 4-isopropoxyphenyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 378.240624190 u |
| Formula | C22H34O5 |
| InChI | InChI=1S/C22H34O5/c1-4-17-25-21(23)11-9-7-5-6-8-10-12-22(24)27-20-15-13-19(14-16-20)26-18(2)3/h13-16,18H,4-12,17H2,1-3H3 |
| InChIKey | YDGMPBPHQGJFDK-UHFFFAOYSA-N |
| Molecular Weight | 378.509 g/mol |
| SMILES | C(CCCCCCCC(OC1=CC=C(OC(C)C)C=C1)=O)C(OCCC)=O |