| SpectraBase Compound ID | H7dMLxVYyeq |
|---|---|
| InChI | InChI=1S/C20H26O4/c21-19(23-13-15-6-1-2-7-15)17-10-5-11-18(12-17)20(22)24-14-16-8-3-4-9-16/h5,10-12,15-16H,1-4,6-9,13-14H2 |
| InChIKey | GJJMJFRCHLOADR-UHFFFAOYSA-N |
| Mol Weight | 330.42 g/mol |
| Molecular Formula | C20H26O4 |
| Exact Mass | 330.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | mXoxsXFCPF |
|---|---|
| Name | Isophthalic acid, dicyclopentylmethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.183109313 u |
| Formula | C20H26O4 |
| InChI | InChI=1S/C20H26O4/c21-19(23-13-15-6-1-2-7-15)17-10-5-11-18(12-17)20(22)24-14-16-8-3-4-9-16/h5,10-12,15-16H,1-4,6-9,13-14H2 |
| InChIKey | GJJMJFRCHLOADR-UHFFFAOYSA-N |
| Molecular Weight | 330.424 g/mol |
| SMILES | C1CCCC1COC(C1=CC(=CC=C1)C(OCC1CCCC1)=O)=O |