| SpectraBase Compound ID | BYsxw0bYzMT |
|---|---|
| InChI | InChI=1S/C22H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-18-17-20(24)22-19(23)15-13-16-21(22)25-18/h13,15-17,23H,2-12,14H2,1H3 |
| InChIKey | WKVQWLISVNCDRM-UHFFFAOYSA-N |
| Mol Weight | 344.5 g/mol |
| Molecular Formula | C22H32O3 |
| Exact Mass | 344.235145 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LuXX89cm3f3 |
|---|---|
| Name | Chrom-5-ol-4-one, 2-tridecyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 344.235144887 u |
| Formula | C22H32O3 |
| InChI | InChI=1S/C22H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-18-17-20(24)22-19(23)15-13-16-21(22)25-18/h13,15-17,23H,2-12,14H2,1H3 |
| InChIKey | WKVQWLISVNCDRM-UHFFFAOYSA-N |
| Molecular Weight | 344.495 g/mol |
| SMILES | C1=CC(=C2C(=C1)OC(=CC2=O)CCCCCCCCCCCCC)O |