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Vitamin K
SpectraBase Compound ID 34BwnppFd4O
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+
InChIKey MBWXNTAXLNYFJB-LKUDQCMESA-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 DyDkNGfBxmk
Name 2-methyl-3-eicosa-2-ene-1,4-naphthoquinone
Carrier Gas Helium
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Exact Mass 450.349780719 u
Formula C31H46O2
GC Column (15 m x 0 25 mm, film thickness 0 25 micrometer)
GC Oven Program Oven temp 300oC
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+
InChIKey MBWXNTAXLNYFJB-LKUDQCMESA-N
Inlet Type Split/splitless
Ionization Type EI
Literature Reference DOI 10.1002/jhrc.1240161214
Molecular Weight 450.707 g/mol
Quality 970
SMILES CC=1C(C2=C(C(C1C\C=C\(CCCC(CCCC(CCCC(C)C)C)C)C)=O)C=CC=C2)=O
SPLASH splash10-0zfr-8940200000-a9aa0759069a18763a12
Sample Comments Vitamin K1(20)
Source of Spectrum HRC-16-739-VK (DOI: 10.1002/jhrc.1240161214)
Wiley ID 1910815