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Phytonadione
SpectraBase Compound ID EknsQkjx7Qf
InChI InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1
InChIKey MBWXNTAXLNYFJB-NKFFZRIASA-N
Mol Weight 450.7 g/mol
Molecular Formula C31H46O2
Exact Mass 450.349781 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1OaMv8KWABf
Name Vitamin K1(20)
Alternate Name(s) 2-Methyl-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]-1,4-naphthoquinone 2-Methyl-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-dione
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Formula C31H46O2
InChI InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1
InChIKey MBWXNTAXLNYFJB-NKFFZRIASA-N
Molecular Weight 450.707 g/mol
SMILES C1(=C(C(=O)c2c(C1=O)cccc2)C)C\C=C\(CCC[C@@](CCC[C@@](CCCC(C)C)(C)[H])(C)[H])C
SPLASH splash10-0fbi-0980500000-7a49d832de58270d02be
Source of Spectrum O-31-655-0
Wiley ID 1387872