| SpectraBase Compound ID | 9peTQpgfk8A |
|---|---|
| InChI | InChI=1S/C26H44O3/c1-7-11-25(27)18-19-29-26(28)20-24(6)17-10-16-23(5)15-9-14-22(4)13-8-12-21(2)3/h12,14,16,24H,7-11,13,15,17-20H2,1-6H3/b22-14+,23-16+ |
| InChIKey | IJSQOIWTXKFMAY-SUMSNFAJSA-N |
| Mol Weight | 404.6 g/mol |
| Molecular Formula | C26H44O3 |
| Exact Mass | 404.329045 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | jdEHxkzYhT |
|---|---|
| Name | 3-oxohexyl geranlycitronellate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H44O3 |
| InChI | InChI=1S/C26H44O3/c1-7-11-25(27)18-19-29-26(28)20-24(6)17-10-16-23(5)15-9-14-22(4)13-8-12-21(2)3/h12,14,16,24H,7-11,13,15,17-20H2,1-6H3/b22-14+,23-16+ |
| InChIKey | IJSQOIWTXKFMAY-SUMSNFAJSA-N |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/cbic.202100372 |
| Molecular Weight | 404.635 g/mol |
| SMILES | C(CC(CC(=O)OCCC(=O)CCC)C)\C=C\(CC\C=C/(C)CCC=C(C)C)C |
| SPLASH | splash10-066u-9400000000-c6d83bc64bc0c44c377e |
| Source of Spectrum | CBC-22-SM11-9l |
| Wiley ID | 1865319 |