| SpectraBase Compound ID | BUmf2BDj1E7 |
|---|---|
| InChI | InChI=1S/C22H30O4/c23-21(25-15-17-7-3-1-4-8-17)19-11-13-20(14-12-19)22(24)26-16-18-9-5-2-6-10-18/h11-14,17-18H,1-10,15-16H2 |
| InChIKey | ZBLSOQMESJZXHA-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 | C3yEiffS1eq |
|---|---|
| Name | Terephthalic acid, di(cyclohexylmethyl) 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(25-15-17-7-3-1-4-8-17)19-11-13-20(14-12-19)22(24)26-16-18-9-5-2-6-10-18/h11-14,17-18H,1-10,15-16H2 |
| InChIKey | ZBLSOQMESJZXHA-UHFFFAOYSA-N |
| Molecular Weight | 358.478 g/mol |
| SMILES | C(OC(C1=CC=C(C=C1)C(OCC1CCCCC1)=O)=O)C1CCCCC1 |