| SpectraBase Compound ID | ATSsLzKJTEe |
|---|---|
| InChI | InChI=1S/C23H32O4/c1-2-3-17-26-22(24)15-10-16-23(25)27-21(20-13-8-5-9-14-20)18-19-11-6-4-7-12-19/h5-6,8-9,11,13-14,19,21H,2-4,7,10,12,15-18H2,1H3 |
| InChIKey | MFRUAQQLDFSFKW-UHFFFAOYSA-N |
| Mol Weight | 372.5 g/mol |
| Molecular Formula | C23H32O4 |
| Exact Mass | 372.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LX5RXqKHTOO |
|---|---|
| Name | Glutaric acid, butyl 1-phenyl-2-(3-cyclohexenyl)ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 372.230059506 u |
| Formula | C23H32O4 |
| InChI | InChI=1S/C23H32O4/c1-2-3-17-26-22(24)15-10-16-23(25)27-21(20-13-8-5-9-14-20)18-19-11-6-4-7-12-19/h5-6,8-9,11,13-14,19,21H,2-4,7,10,12,15-18H2,1H3 |
| InChIKey | MFRUAQQLDFSFKW-UHFFFAOYSA-N |
| Molecular Weight | 372.505 g/mol |
| SMILES | C1CC=CC(C1)CC(OC(=O)CCCC(OCCCC)=O)C1=CC=CC=C1 |