| SpectraBase Compound ID | AOW1aZFcVWA |
|---|---|
| InChI | InChI=1S/C25H42O2/c1-17(2)9-8-10-18(3)15-24(26)27-25(6,7)21-13-11-19(4)22-14-12-20(5)23(22)16-21/h9,18-21H,8,10-16H2,1-7H3 |
| InChIKey | HVIVMJGPVGIBLX-UHFFFAOYSA-N |
| Mol Weight | 374.6 g/mol |
| Molecular Formula | C25H42O2 |
| Exact Mass | 374.318481 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5QOg5VItkaE |
|---|---|
| Name | Guaiyl citronellate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 374.318480590 u |
| Formula | C25H42O2 |
| InChI | InChI=1S/C25H42O2/c1-17(2)9-8-10-18(3)15-24(26)27-25(6,7)21-13-11-19(4)22-14-12-20(5)23(22)16-21/h9,18-21H,8,10-16H2,1-7H3 |
| InChIKey | HVIVMJGPVGIBLX-UHFFFAOYSA-N |
| Molecular Weight | 374.609 g/mol |
| SMILES | C(CC(CCC=C(C)C)C)(=O)OC(C)(C)C1CC2=C(CCC2C)C(C)CC1 |