| SpectraBase Compound ID | A3sFFDbQH8J |
|---|---|
| InChI | InChI=1S/C20H36O6/c1-3-5-7-9-17-11-15(21)13-20(24)26-18(10-8-6-4-2)12-16(22)14-19(23)25-17/h15-18,21-22H,3-14H2,1-2H3 |
| InChIKey | PENUWXDRGVMHGY-UHFFFAOYSA-N |
| Mol Weight | 372.5 g/mol |
| Molecular Formula | C20H36O6 |
| Exact Mass | 372.251189 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ICQlzJcEYMs |
|---|---|
| Name | Verbalactone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 372.251188873 u |
| Formula | C20H36O6 |
| InChI | InChI=1S/C20H36O6/c1-3-5-7-9-17-11-15(21)13-20(24)26-18(10-8-6-4-2)12-16(22)14-19(23)25-17/h15-18,21-22H,3-14H2,1-2H3 |
| InChIKey | PENUWXDRGVMHGY-UHFFFAOYSA-N |
| Molecular Weight | 372.502 g/mol |
| SMILES | C1(OC(CC(CC(OC(CC(C1)O)CCCCC)=O)O)CCCCC)=O |