| SpectraBase Compound ID | FkEoGUOuE90 |
|---|---|
| InChI | InChI=1S/C30H46O4/c1-2-3-4-5-6-7-8-9-16-24-33-29(31)22-17-23-30(32)34-28(27-20-14-11-15-21-27)25-26-18-12-10-13-19-26/h11-12,14-15,18,20-21,26,28H,2-10,13,16-17,19,22-25H2,1H3 |
| InChIKey | VXHJBXSHPITMHP-UHFFFAOYSA-N |
| Mol Weight | 470.7 g/mol |
| Molecular Formula | C30H46O4 |
| Exact Mass | 470.33961 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9WdxvWYxw8Y |
|---|---|
| Name | Glutaric acid, 1-phenyl-2-(3-cyclohexenyl)ethyl undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 470.339609957 u |
| Formula | C30H46O4 |
| InChI | InChI=1S/C30H46O4/c1-2-3-4-5-6-7-8-9-16-24-33-29(31)22-17-23-30(32)34-28(27-20-14-11-15-21-27)25-26-18-12-10-13-19-26/h11-12,14-15,18,20-21,26,28H,2-10,13,16-17,19,22-25H2,1H3 |
| InChIKey | VXHJBXSHPITMHP-UHFFFAOYSA-N |
| Molecular Weight | 470.694 g/mol |
| SMILES | C1CC=CC(C1)CC(OC(=O)CCCC(OCCCCCCCCCCC)=O)C1=CC=CC=C1 |