| SpectraBase Compound ID | 9kx3j0XvXb1 |
|---|---|
| InChI | InChI=1S/C19H26O4/c1-2-3-6-12-22-18(20)16-10-7-11-17(13-16)19(21)23-14-15-8-4-5-9-15/h7,10-11,13,15H,2-6,8-9,12,14H2,1H3 |
| InChIKey | NUXWOGJCZVLERF-UHFFFAOYSA-N |
| Mol Weight | 318.41 g/mol |
| Molecular Formula | C19H26O4 |
| Exact Mass | 318.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FjmQLLf1WnA |
|---|---|
| Name | Isophthalic acid, cyclopentylmethyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.183109313 u |
| Formula | C19H26O4 |
| InChI | InChI=1S/C19H26O4/c1-2-3-6-12-22-18(20)16-10-7-11-17(13-16)19(21)23-14-15-8-4-5-9-15/h7,10-11,13,15H,2-6,8-9,12,14H2,1H3 |
| InChIKey | NUXWOGJCZVLERF-UHFFFAOYSA-N |
| Molecular Weight | 318.413 g/mol |
| SMILES | C1CCCC1COC(C1=CC(=CC=C1)C(OCCCCC)=O)=O |