| SpectraBase Compound ID | AtCeY5XIi8r |
|---|---|
| InChI | InChI=1S/C30H58O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-30(31)32-27-26-29(4)24-22-23-28(2)3/h23,29H,5-22,24-27H2,1-4H3 |
| InChIKey | FOLPDVUJZANDCH-UHFFFAOYSA-N |
| Mol Weight | 450.8 g/mol |
| Molecular Formula | C30H58O2 |
| Exact Mass | 450.443681 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B6fROgBOQJ5 |
|---|---|
| Name | Citronellyl icosanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 450.443681106 u |
| Formula | C30H58O2 |
| InChI | InChI=1S/C30H58O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-30(31)32-27-26-29(4)24-22-23-28(2)3/h23,29H,5-22,24-27H2,1-4H3 |
| InChIKey | FOLPDVUJZANDCH-UHFFFAOYSA-N |
| Molecular Weight | 450.792 g/mol |
| SMILES | C(CCCCCCCCCCCCCCCCCCC)(=O)OCCC(CCC=C(C)C)C |