| SpectraBase Compound ID | YO4YhdWtKh |
|---|---|
| InChI | InChI=1S/C26H48O4/c1-5-6-7-8-9-10-11-14-21-29-25(27)18-12-13-19-26(28)30-22-20-24(4)17-15-16-23(2)3/h16,24H,5-15,17-22H2,1-4H3 |
| InChIKey | RDJBMEASUYNYQI-UHFFFAOYSA-N |
| Mol Weight | 424.7 g/mol |
| Molecular Formula | C26H48O4 |
| Exact Mass | 424.35526 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | An9ddm2b2Tu |
|---|---|
| Name | Adipic acid, .beta.-citronellyl decyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 424.355260022 u |
| Formula | C26H48O4 |
| InChI | InChI=1S/C26H48O4/c1-5-6-7-8-9-10-11-14-21-29-25(27)18-12-13-19-26(28)30-22-20-24(4)17-15-16-23(2)3/h16,24H,5-15,17-22H2,1-4H3 |
| InChIKey | RDJBMEASUYNYQI-UHFFFAOYSA-N |
| Molecular Weight | 424.666 g/mol |
| SMILES | C(CCCC(OCCC(C)CCC=C(C)C)=O)C(OCCCCCCCCCC)=O |