| SpectraBase Compound ID | 1hE2IUDmvNj |
|---|---|
| InChI | InChI=1S/C22H32O5/c1-13-8-10-22(26)17(7-6-9-20(22,2)3)21(13,4)12-14-18(24)15(23)11-16(27-5)19(14)25/h11,13,17,24,26H,6-10,12H2,1-5H3 |
| InChIKey | NNZBVSPUWCOAHN-UHFFFAOYSA-N |
| Mol Weight | 376.5 g/mol |
| Molecular Formula | C22H32O5 |
| Exact Mass | 376.224974 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 95leM4GlOev |
|---|---|
| Name | Hyatoquinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 376.224974125 u |
| Formula | C22H32O5 |
| InChI | InChI=1S/C22H32O5/c1-13-8-10-22(26)17(7-6-9-20(22,2)3)21(13,4)12-14-18(24)15(23)11-16(27-5)19(14)25/h11,13,17,24,26H,6-10,12H2,1-5H3 |
| InChIKey | NNZBVSPUWCOAHN-UHFFFAOYSA-N |
| Molecular Weight | 376.493 g/mol |
| SMILES | C1(=C(C(=O)C=C(C1=O)OC)O)CC1(C2C(C(C)(C)CCC2)(O)CCC1C)C |