| SpectraBase Compound ID | Fzmo8miFfg1 |
|---|---|
| InChI | InChI=1S/C25H40O4/c1-4-5-6-13-20-28-24(26)14-11-9-7-8-10-12-15-25(27)29-23-18-16-22(17-19-23)21(2)3/h16-19,21H,4-15,20H2,1-3H3 |
| InChIKey | SRFKXEBJDIWMKW-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 | FzRciSHbEYg |
|---|---|
| Name | Sebacic acid, hexyl 4-isopropylphenyl 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/c1-4-5-6-13-20-28-24(26)14-11-9-7-8-10-12-15-25(27)29-23-18-16-22(17-19-23)21(2)3/h16-19,21H,4-15,20H2,1-3H3 |
| InChIKey | SRFKXEBJDIWMKW-UHFFFAOYSA-N |
| Molecular Weight | 404.591 g/mol |
| SMILES | C(CCCCCCCC(OC=1C=CC(C(C)C)=CC1)=O)C(OCCCCCC)=O |