| SpectraBase Compound ID | ERnjXVs4eIE |
|---|---|
| InChI | InChI=1S/C20H34O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h9,11,13,16,20H,6-8,10,12,14-15H2,1-5H3/b18-11+,19-13+/t20-/m0/s1 |
| InChIKey | NTBMFUBVSCXRCB-UJMPLXFMSA-N |
| Mol Weight | 290.5 g/mol |
| Molecular Formula | C20H34O |
| Exact Mass | 290.260966 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IdJVVIXI2zW |
|---|---|
| Name | (S)-Geranylcitronellal |
| Appearance | Light yellow oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H34O |
| InChI | InChI=1S/C20H34O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h9,11,13,16,20H,6-8,10,12,14-15H2,1-5H3/b18-11+,19-13+/t20-/m0/s1 |
| InChIKey | NTBMFUBVSCXRCB-UJMPLXFMSA-N |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/cbic.202100372 |
| Molecular Weight | 290.491 g/mol |
| Optical Rotation | [a]D25.0 = -6.54 (c = 1.04, CH2Cl2) |
| SMILES | C(C[C@@](CC=O)(C)[H])\C=C\(CC\C=C\(CCC=C(C)C)C)C |
| SPLASH | splash10-014i-9000000000-f28148b02a54162cabab |
| Source of Spectrum | CBC-22-SM48-(S)-S3 |
| Wiley ID | 1865302 |