| SpectraBase Compound ID | 2F5fIx4gZAG |
|---|---|
| InChI | InChI=1S/C20H26O5/c1-15(21)17-10-12-18(13-11-17)25-20(23)9-5-8-19(22)24-14-16-6-3-2-4-7-16/h10-13,16H,2-9,14H2,1H3 |
| InChIKey | NNUDNEVJANJOIU-UHFFFAOYSA-N |
| Mol Weight | 346.42 g/mol |
| Molecular Formula | C20H26O5 |
| Exact Mass | 346.178024 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F3OkWerx9Tj |
|---|---|
| Name | Glutaric acid, cyclohexylmethyl 4-acetylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.178023932 u |
| Formula | C20H26O5 |
| InChI | InChI=1S/C20H26O5/c1-15(21)17-10-12-18(13-11-17)25-20(23)9-5-8-19(22)24-14-16-6-3-2-4-7-16/h10-13,16H,2-9,14H2,1H3 |
| InChIKey | NNUDNEVJANJOIU-UHFFFAOYSA-N |
| Molecular Weight | 346.423 g/mol |
| SMILES | C(CCC(OCC1CCCCC1)=O)C(OC1=CC=C(C(C)=O)C=C1)=O |