| SpectraBase Compound ID | B4OdBztZo1p |
|---|---|
| InChI | InChI=1S/C22H34O4/c1-3-5-6-7-8-9-10-11-12-17-26-22(24)20-15-13-14-19(18-20)21(23)25-16-4-2/h13-15,18H,3-12,16-17H2,1-2H3 |
| InChIKey | GOOLNBNDNRTESX-UHFFFAOYSA-N |
| Mol Weight | 362.5 g/mol |
| Molecular Formula | C22H34O4 |
| Exact Mass | 362.24571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IPYoAMPDFKG |
|---|---|
| Name | Isophthalic acid, propyl undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 362.245709571 u |
| Formula | C22H34O4 |
| InChI | InChI=1S/C22H34O4/c1-3-5-6-7-8-9-10-11-12-17-26-22(24)20-15-13-14-19(18-20)21(23)25-16-4-2/h13-15,18H,3-12,16-17H2,1-2H3 |
| InChIKey | GOOLNBNDNRTESX-UHFFFAOYSA-N |
| Molecular Weight | 362.510 g/mol |
| SMILES | C(OC(C1=CC(=CC=C1)C(OCCCCCCCCCCC)=O)=O)CC |