| SpectraBase Compound ID | BpRpaKIuFHz |
|---|---|
| InChI | InChI=1S/C20H28O3/c1-2-3-4-5-6-7-8-9-10-12-16-15-18(22)20-17(21)13-11-14-19(20)23-16/h11,13-15,21H,2-10,12H2,1H3 |
| InChIKey | CQTVVLLURKBIKT-UHFFFAOYSA-N |
| Mol Weight | 316.44 g/mol |
| Molecular Formula | C20H28O3 |
| Exact Mass | 316.203845 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | gGeks93UZJ |
|---|---|
| Name | Chrom-5-ol-4-one, 2-undecyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.203844759 u |
| Formula | C20H28O3 |
| InChI | InChI=1S/C20H28O3/c1-2-3-4-5-6-7-8-9-10-12-16-15-18(22)20-17(21)13-11-14-19(20)23-16/h11,13-15,21H,2-10,12H2,1H3 |
| InChIKey | CQTVVLLURKBIKT-UHFFFAOYSA-N |
| Molecular Weight | 316.441 g/mol |
| SMILES | C1=CC(=C2C(=C1)OC(=CC2=O)CCCCCCCCCCC)O |