| SpectraBase Compound ID | EMjicize2Oz |
|---|---|
| InChI | InChI=1S/C25H40O4/c1-3-5-7-9-10-11-12-13-17-21-29-25(27)23-19-15-14-18-22(23)24(26)28-20-16-8-6-4-2/h14-15,18-19H,3-13,16-17,20-21H2,1-2H3 |
| InChIKey | CUTSITYXDGHXLW-UHFFFAOYSA-N |
| Mol Weight | 404.6 g/mol |
| Molecular Formula | C25H40O4 |
| Exact Mass | 404.29266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G5rToYbl0Rl |
|---|---|
| Name | Phthalic acid, hexyl undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 404.292659764 u |
| Formula | C25H40O4 |
| InChI | InChI=1S/C25H40O4/c1-3-5-7-9-10-11-12-13-17-21-29-25(27)23-19-15-14-18-22(23)24(26)28-20-16-8-6-4-2/h14-15,18-19H,3-13,16-17,20-21H2,1-2H3 |
| InChIKey | CUTSITYXDGHXLW-UHFFFAOYSA-N |
| Molecular Weight | 404.591 g/mol |
| SMILES | C1(=CC=CC=C1C(OCCCCCCCCCCC)=O)C(OCCCCCC)=O |