| SpectraBase Compound ID | 8I92g70wmJd |
|---|---|
| InChI | InChI=1S/C22H34O4/c1-4-17-25-21(23)15-9-7-5-6-8-10-16-22(24)26-20-14-12-11-13-19(20)18(2)3/h11-14,18H,4-10,15-17H2,1-3H3 |
| InChIKey | GNDSSGNMPNROIQ-UHFFFAOYSA-N |
| Mol Weight | 362.5 g/mol |
| Molecular Formula | C22H34O4 |
| Exact Mass | 362.24571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8Pde9ytAObe |
|---|---|
| Name | Sebacic acid, 2-isopropylphenyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 362.245709571 u |
| Formula | C22H34O4 |
| InChI | InChI=1S/C22H34O4/c1-4-17-25-21(23)15-9-7-5-6-8-10-16-22(24)26-20-14-12-11-13-19(20)18(2)3/h11-14,18H,4-10,15-17H2,1-3H3 |
| InChIKey | GNDSSGNMPNROIQ-UHFFFAOYSA-N |
| Molecular Weight | 362.510 g/mol |
| SMILES | C(CCCCCCCC(OC=1C(C(C)C)=CC=CC1)=O)C(OCCC)=O |