| SpectraBase Compound ID | Faikwty8a1I |
|---|---|
| InChI | InChI=1S/C32H50O4/c1-2-3-4-5-10-19-26-35-31(33)24-17-8-6-7-9-18-25-32(34)36-30(29-22-15-12-16-23-29)27-28-20-13-11-14-21-28/h12-13,15-16,20,22-23,28,30H,2-11,14,17-19,21,24-27H2,1H3 |
| InChIKey | AXLBPXHAJHSLFP-UHFFFAOYSA-N |
| Mol Weight | 498.7 g/mol |
| Molecular Formula | C32H50O4 |
| Exact Mass | 498.37091 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LolLzrqfDIw |
|---|---|
| Name | Sebacic acid, (2-(cyclohexenyl-3)-1-phenyl)ethyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 498.370910086 u |
| Formula | C32H50O4 |
| InChI | InChI=1S/C32H50O4/c1-2-3-4-5-10-19-26-35-31(33)24-17-8-6-7-9-18-25-32(34)36-30(29-22-15-12-16-23-29)27-28-20-13-11-14-21-28/h12-13,15-16,20,22-23,28,30H,2-11,14,17-19,21,24-27H2,1H3 |
| InChIKey | AXLBPXHAJHSLFP-UHFFFAOYSA-N |
| Molecular Weight | 498.748 g/mol |
| SMILES | C(CCCCCCCC(OC(C1=CC=CC=C1)CC1C=CCCC1)=O)C(OCCCCCCCC)=O |