| SpectraBase Compound ID | IoAZ2npOp02 |
|---|---|
| InChI | InChI=1S/C29H56O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-25-32-28(30)22-19-20-23-29(31)33-26-24-27(2)3/h27H,4-26H2,1-3H3 |
| InChIKey | VRNNYSINFXROKB-UHFFFAOYSA-N |
| Mol Weight | 468.8 g/mol |
| Molecular Formula | C29H56O4 |
| Exact Mass | 468.41786 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G9b4u8EHOzM |
|---|---|
| Name | Adipic acid, 3-methylbutyl octadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 468.417860279 u |
| Formula | C29H56O4 |
| InChI | InChI=1S/C29H56O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-25-32-28(30)22-19-20-23-29(31)33-26-24-27(2)3/h27H,4-26H2,1-3H3 |
| InChIKey | VRNNYSINFXROKB-UHFFFAOYSA-N |
| Molecular Weight | 468.763 g/mol |
| SMILES | C(CCC(OCCC(C)C)=O)CC(OCCCCCCCCCCCCCCCCCC)=O |