| SpectraBase Compound ID | 5Henbb0BRQv |
|---|---|
| InChI | InChI=1S/C28H46O4/c1-3-5-7-9-11-12-14-16-20-24-32-28(30)26-22-18-17-21-25(26)27(29)31-23-19-15-13-10-8-6-4-2/h17-18,21-22H,3-16,19-20,23-24H2,1-2H3 |
| InChIKey | ACBFJMAXNZVRRX-UHFFFAOYSA-N |
| Mol Weight | 446.7 g/mol |
| Molecular Formula | C28H46O4 |
| Exact Mass | 446.33961 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2FjwGPrF9KZ |
|---|---|
| Name | Nonylundecyl phthalate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 446.339609957 u |
| Formula | C28H46O4 |
| InChI | InChI=1S/C28H46O4/c1-3-5-7-9-11-12-14-16-20-24-32-28(30)26-22-18-17-21-25(26)27(29)31-23-19-15-13-10-8-6-4-2/h17-18,21-22H,3-16,19-20,23-24H2,1-2H3 |
| InChIKey | ACBFJMAXNZVRRX-UHFFFAOYSA-N |
| Molecular Weight | 446.672 g/mol |
| SMILES | C1=CC(=C(C=C1)C(OCCCCCCCCCCC)=O)C(OCCCCCCCCC)=O |