| SpectraBase Compound ID | LOunB2fSYL6 |
|---|---|
| InChI | InChI=1S/C22H26O5/c1-2-3-7-16-25-21(23)14-15-22(24)26-17-18-10-12-20(13-11-18)27-19-8-5-4-6-9-19/h4-6,8-13H,2-3,7,14-17H2,1H3 |
| InChIKey | DTAVSIHWULXLRE-UHFFFAOYSA-N |
| Mol Weight | 370.45 g/mol |
| Molecular Formula | C22H26O5 |
| Exact Mass | 370.178024 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7prUApSROHt |
|---|---|
| Name | Succinic acid, pentyl 4-phenoxybenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 370.178023932 u |
| Formula | C22H26O5 |
| InChI | InChI=1S/C22H26O5/c1-2-3-7-16-25-21(23)14-15-22(24)26-17-18-10-12-20(13-11-18)27-19-8-5-4-6-9-19/h4-6,8-13H,2-3,7,14-17H2,1H3 |
| InChIKey | DTAVSIHWULXLRE-UHFFFAOYSA-N |
| Molecular Weight | 370.445 g/mol |
| SMILES | C(CC(OCC1=CC=C(OC2=CC=CC=C2)C=C1)=O)C(OCCCCC)=O |