| SpectraBase Compound ID | DwP9cOyIjQr |
|---|---|
| InChI | InChI=1S/C18H26O5/c1-4-5-8-13-21-17(19)11-12-18(20)23-16-10-7-6-9-15(16)22-14(2)3/h6-7,9-10,14H,4-5,8,11-13H2,1-3H3 |
| InChIKey | KKDRHTGMARCGBJ-UHFFFAOYSA-N |
| Mol Weight | 322.4 g/mol |
| Molecular Formula | C18H26O5 |
| Exact Mass | 322.178024 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1gDFHUWoOkb |
|---|---|
| Name | Succinic acid, 2-isopropoxyphenyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.178023932 u |
| Formula | C18H26O5 |
| InChI | InChI=1S/C18H26O5/c1-4-5-8-13-21-17(19)11-12-18(20)23-16-10-7-6-9-15(16)22-14(2)3/h6-7,9-10,14H,4-5,8,11-13H2,1-3H3 |
| InChIKey | KKDRHTGMARCGBJ-UHFFFAOYSA-N |
| Molecular Weight | 322.401 g/mol |
| SMILES | C1=CC(=C(C=C1)OC(C)C)OC(=O)CCC(OCCCCC)=O |