| SpectraBase Compound ID | Gthxpw2N3bm |
|---|---|
| InChI | InChI=1S/C20H32O5/c1-11(2)7-9-14-18(23)16(17(22)13(5)6)19(24)20(14,25)15(21)10-8-12(3)4/h11-14,24-25H,7-10H2,1-6H3 |
| InChIKey | CRWKJKKCCCAXET-UHFFFAOYSA-N |
| Mol Weight | 352.5 g/mol |
| Molecular Formula | C20H32O5 |
| Exact Mass | 352.224974 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9jHzmLtmW5V |
|---|---|
| Name | Tetrahydroisocohumulone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.224974125 u |
| Formula | C20H32O5 |
| InChI | InChI=1S/C20H32O5/c1-11(2)7-9-14-18(23)16(17(22)13(5)6)19(24)20(14,25)15(21)10-8-12(3)4/h11-14,24-25H,7-10H2,1-6H3 |
| InChIKey | CRWKJKKCCCAXET-UHFFFAOYSA-N |
| Molecular Weight | 352.471 g/mol |
| SMILES | C1(=C(C(C(=O)CCC(C)C)(O)C(C1=O)CCC(C)C)O)C(=O)C(C)C |