| SpectraBase Compound ID | Hs7GdoHtnWH |
|---|---|
| InChI | InChI=1S/C21H24O5/c1-16(2)14-24-20(22)12-13-21(23)25-15-17-8-10-19(11-9-17)26-18-6-4-3-5-7-18/h3-11,16H,12-15H2,1-2H3 |
| InChIKey | LUVCBMAVBVHVKQ-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 | IQGx4MCb1wm |
|---|---|
| Name | Succinic acid, isobutyl 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/c1-16(2)14-24-20(22)12-13-21(23)25-15-17-8-10-19(11-9-17)26-18-6-4-3-5-7-18/h3-11,16H,12-15H2,1-2H3 |
| InChIKey | LUVCBMAVBVHVKQ-UHFFFAOYSA-N |
| Molecular Weight | 356.418 g/mol |
| SMILES | C(CC(OCC1=CC=C(OC2=CC=CC=C2)C=C1)=O)C(OCC(C)C)=O |