| SpectraBase Compound ID | 2e3QSCVZsX |
|---|---|
| InChI | InChI=1S/C20H30O5/c1-16(2)15-25-20(22)10-9-19(21)24-14-12-18(11-13-23-3)17-7-5-4-6-8-17/h4-8,16,18H,9-15H2,1-3H3 |
| InChIKey | LFVWRVYFBVPQJU-UHFFFAOYSA-N |
| Mol Weight | 350.46 g/mol |
| Molecular Formula | C20H30O5 |
| Exact Mass | 350.209324 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GHZJMXoS1Mj |
|---|---|
| Name | Succinic acid, isobutyl 5-methoxy-3-phenylpentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 350.209324061 u |
| Formula | C20H30O5 |
| InChI | InChI=1S/C20H30O5/c1-16(2)15-25-20(22)10-9-19(21)24-14-12-18(11-13-23-3)17-7-5-4-6-8-17/h4-8,16,18H,9-15H2,1-3H3 |
| InChIKey | LFVWRVYFBVPQJU-UHFFFAOYSA-N |
| Molecular Weight | 350.455 g/mol |
| SMILES | C(CC(OCCC(C1=CC=CC=C1)CCOC)=O)C(OCC(C)C)=O |