| SpectraBase Compound ID | Bs1zeJV3rzJ |
|---|---|
| InChI | InChI=1S/C19H30O2/c1-18-7-6-16-15(17(18)10-14(21)11-18)4-3-12-9-13(20)5-8-19(12,16)2/h12-13,15-17,20H,3-11H2,1-2H3 |
| InChIKey | WDSIJVKJXHSMCM-UHFFFAOYSA-N |
| Mol Weight | 290.45 g/mol |
| Molecular Formula | C19H30O2 |
| Exact Mass | 290.22458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1BA90R9GFIK |
|---|---|
| Name | nan |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.224580204 u |
| Formula | C19H30O2 |
| InChI | InChI=1S/C19H30O2/c1-18-7-6-16-15(17(18)10-14(21)11-18)4-3-12-9-13(20)5-8-19(12,16)2/h12-13,15-17,20H,3-11H2,1-2H3 |
| InChIKey | WDSIJVKJXHSMCM-UHFFFAOYSA-N |
| Molecular Weight | 290.447 g/mol |
| Nominal Mass | 290 u |
| SMILES | OC1CCC2(C(C1)CCC1C2CCC2(C1CC(=O)C2)C)C |