| SpectraBase Compound ID | xRz148zacB |
|---|---|
| InChI | InChI=1S/C22H34O4/c1-3-5-7-8-9-10-14-18-26-22(24)20-16-12-11-15-19(20)21(23)25-17-13-6-4-2/h11-12,15-16H,3-10,13-14,17-18H2,1-2H3 |
| InChIKey | UOJVLBHTWYCQJE-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 | LMrm58PM3tk |
|---|---|
| Name | Phthalic acid, nonyl pentyl 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/c1-3-5-7-8-9-10-14-18-26-22(24)20-16-12-11-15-19(20)21(23)25-17-13-6-4-2/h11-12,15-16H,3-10,13-14,17-18H2,1-2H3 |
| InChIKey | UOJVLBHTWYCQJE-UHFFFAOYSA-N |
| Molecular Weight | 362.510 g/mol |
| SMILES | C1(=CC=CC=C1C(OCCCCCCCCC)=O)C(OCCCCC)=O |