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Phylloquinone oxide
SpectraBase Compound ID 5b4Ojerp1h6
InChI InChI=1S/C31H46O3/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-31-29(33)27-19-8-7-18-26(27)28(32)30(31,6)34-31/h7-8,18-20,22-24H,9-17,21H2,1-6H3
InChIKey KUTXFBIHPWIDJQ-UHFFFAOYSA-N
Mol Weight 466.7 g/mol
Molecular Formula C31H46O3
Exact Mass 466.344695 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Djgo7TeGs2I
Name Phylloquinone oxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H46O3
InChI InChI=1S/C31H46O3/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-31-29(33)27-19-8-7-18-26(27)28(32)30(31,6)34-31/h7-8,18-20,22-24H,9-17,21H2,1-6H3
InChIKey KUTXFBIHPWIDJQ-UHFFFAOYSA-N
Ionization Type EI-B
Molecular Weight 466.706 g/mol
SMILES c1cc2c(cc1)C(=O)C1(C(C2=O)(CC=C(CCCC(C)CCCC(C)CCCC(C)C)C)O1)C
SPLASH splash10-052f-9840300000-3fb641d0b01edbf75fce
Source of Spectrum SRH-2022-8159-0
Synonyms 2-Methyl-3-phytyl-1,4-naphthoquinone-2,3-oxide
Wiley ID 1829865