| SpectraBase Compound ID | 4oIgpzZS2rQ |
|---|---|
| InChI | InChI=1S/C56H80O2/c1-42(2)22-14-23-43(3)24-15-25-44(4)26-16-27-45(5)28-17-29-46(6)30-18-31-47(7)32-19-33-48(8)34-20-35-49(9)36-21-37-50(10)40-41-52-51(11)55(57)53-38-12-13-39-54(53)56(52)58/h12-13,22,24,26,28,30,32,34,36,38-40H,14-21,23,25,27,29,31,33,35,37,41H2,1-11H3 |
| InChIKey | WCRXHNIUHQUASO-UHFFFAOYSA-N |
| Mol Weight | 785.3 g/mol |
| Molecular Formula | C56H80O2 |
| Exact Mass | 784.615832 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JND1Kyxlr67 |
|---|---|
| Name | Menaquinone-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C56H80O2 |
| InChI | InChI=1S/C56H80O2/c1-42(2)22-14-23-43(3)24-15-25-44(4)26-16-27-45(5)28-17-29-46(6)30-18-31-47(7)32-19-33-48(8)34-20-35-49(9)36-21-37-50(10)40-41-52-51(11)55(57)53-38-12-13-39-54(53)56(52)58/h12-13,22,24,26,28,30,32,34,36,38-40H,14-21,23,25,27,29,31,33,35,37,41H2,1-11H3 |
| InChIKey | WCRXHNIUHQUASO-UHFFFAOYSA-N |
| Ionization Type | EI-B |
| Molecular Weight | 785.254 g/mol |
| SMILES | CC(=CCCC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1=C(C)C(c2c(C1=O)cccc2)=O)C)CCC=C(C)CCC=C(C)C |
| SPLASH | splash10-017i-9750000100-4b7aa019ba23f6cdfc8b |
| Source of Spectrum | SRH-2022-8162-0 |
| Wiley ID | 1829868 |