| SpectraBase Compound ID | JO94EJTQpxB |
|---|---|
| InChI | InChI=1S/C22H30O4/c23-21(25-15-17-8-3-1-4-9-17)19-12-7-13-20(14-19)22(24)26-16-18-10-5-2-6-11-18/h7,12-14,17-18H,1-6,8-11,15-16H2 |
| InChIKey | BIMUWGJXLYCZOP-UHFFFAOYSA-N |
| Mol Weight | 358.48 g/mol |
| Molecular Formula | C22H30O4 |
| Exact Mass | 358.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AFKmj46MrYT |
|---|---|
| Name | Isophthalic acid, dicyclohexylmethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 358.214409442 u |
| Formula | C22H30O4 |
| InChI | InChI=1S/C22H30O4/c23-21(25-15-17-8-3-1-4-9-17)19-12-7-13-20(14-19)22(24)26-16-18-10-5-2-6-11-18/h7,12-14,17-18H,1-6,8-11,15-16H2 |
| InChIKey | BIMUWGJXLYCZOP-UHFFFAOYSA-N |
| Molecular Weight | 358.478 g/mol |
| SMILES | C1(CCCCC1)COC(C1=CC(=CC=C1)C(OCC1CCCCC1)=O)=O |