| SpectraBase Compound ID | 9vjokP7nC6g |
|---|---|
| InChI | InChI=1S/C24H44O4/c1-5-6-7-8-9-12-19-27-23(25)16-10-11-17-24(26)28-20-18-22(4)15-13-14-21(2)3/h14,22H,5-13,15-20H2,1-4H3 |
| InChIKey | MXVHMEMSTPCEMA-UHFFFAOYSA-N |
| Mol Weight | 396.6 g/mol |
| Molecular Formula | C24H44O4 |
| Exact Mass | 396.32396 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 67BNMy453fg |
|---|---|
| Name | Adipic acid, .beta.-citronellyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 396.323959893 u |
| Formula | C24H44O4 |
| InChI | InChI=1S/C24H44O4/c1-5-6-7-8-9-12-19-27-23(25)16-10-11-17-24(26)28-20-18-22(4)15-13-14-21(2)3/h14,22H,5-13,15-20H2,1-4H3 |
| InChIKey | MXVHMEMSTPCEMA-UHFFFAOYSA-N |
| Molecular Weight | 396.612 g/mol |
| SMILES | C(CCCC(OCCC(C)CCC=C(C)C)=O)C(OCCCCCCCC)=O |