| SpectraBase Compound ID | EaypY5SMb5v |
|---|---|
| InChI | InChI=1S/C15H28O2/c1-5-6-10-15(16)17-12-11-14(4)9-7-8-13(2)3/h8,14H,5-7,9-12H2,1-4H3 |
| InChIKey | PFOJEJPZUVQHEH-UHFFFAOYSA-N |
| Mol Weight | 240.39 g/mol |
| Molecular Formula | C15H28O2 |
| Exact Mass | 240.20893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9aXFEL7q7x1 |
|---|---|
| Name | Citronellyl valerate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.208930140 u |
| Formula | C15H28O2 |
| InChI | InChI=1S/C15H28O2/c1-5-6-10-15(16)17-12-11-14(4)9-7-8-13(2)3/h8,14H,5-7,9-12H2,1-4H3 |
| InChIKey | PFOJEJPZUVQHEH-UHFFFAOYSA-N |
| Molecular Weight | 240.387 g/mol |
| SMILES | C(CCCC)(=O)OCCC(CCC=C(C)C)C |