| SpectraBase Compound ID | AXZmAjCazRf |
|---|---|
| InChI | InChI=1S/C21H24O5/c1-2-3-15-24-20(22)13-14-21(23)25-16-17-9-11-19(12-10-17)26-18-7-5-4-6-8-18/h4-12H,2-3,13-16H2,1H3 |
| InChIKey | VIVDCTAKMQUQRI-UHFFFAOYSA-N |
| Mol Weight | 356.42 g/mol |
| Molecular Formula | C21H24O5 |
| Exact Mass | 356.162374 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J7iLhHW06BB |
|---|---|
| Name | Succinic acid, butyl 4-phenoxybenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.162373868 u |
| Formula | C21H24O5 |
| InChI | InChI=1S/C21H24O5/c1-2-3-15-24-20(22)13-14-21(23)25-16-17-9-11-19(12-10-17)26-18-7-5-4-6-8-18/h4-12H,2-3,13-16H2,1H3 |
| InChIKey | VIVDCTAKMQUQRI-UHFFFAOYSA-N |
| Molecular Weight | 356.418 g/mol |
| SMILES | C(CC(OCC1=CC=C(OC2=CC=CC=C2)C=C1)=O)C(OCCCC)=O |