| SpectraBase Compound ID | hbwBfSE2ig |
|---|---|
| InChI | InChI=1S/C20H28O4/c1-2-3-4-7-13-23-19(21)17-11-8-12-18(14-17)20(22)24-15-16-9-5-6-10-16/h8,11-12,14,16H,2-7,9-10,13,15H2,1H3 |
| InChIKey | RHADFMSRJOHREG-UHFFFAOYSA-N |
| Mol Weight | 332.44 g/mol |
| Molecular Formula | C20H28O4 |
| Exact Mass | 332.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8Zawmi0mCWE |
|---|---|
| Name | Isophthalic acid, cyclopentylmethyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.198759378 u |
| Formula | C20H28O4 |
| InChI | InChI=1S/C20H28O4/c1-2-3-4-7-13-23-19(21)17-11-8-12-18(14-17)20(22)24-15-16-9-5-6-10-16/h8,11-12,14,16H,2-7,9-10,13,15H2,1H3 |
| InChIKey | RHADFMSRJOHREG-UHFFFAOYSA-N |
| Molecular Weight | 332.440 g/mol |
| SMILES | C1CCCC1COC(C1=CC(=CC=C1)C(OCCCCCC)=O)=O |