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2-(Hydroxymethyl)-3-phytyl-1,4-naphthoquinone

View entire compound with spectra: 1 MS (GC)

2-(Hydroxymethyl)-3-phytyl-1,4-naphthoquinone
SpectraBase Compound ID 93g1l1YUwB4
InChI InChI=1S/C31H46O3/c1-22(2)11-8-12-23(3)13-9-14-24(4)15-10-16-25(5)19-20-28-29(21-32)31(34)27-18-7-6-17-26(27)30(28)33/h6-7,17-19,22-24,32H,8-16,20-21H2,1-5H3/b25-19+
InChIKey VWNOJGHIKDDKSN-NCELDCMTSA-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 IaOwJSF2JkS
Name 2-(Hydroxymethyl)-3-phytyl-1,4-naphthoquinone
Alternate Name(s) 2-(Hydroxymethyl)-3-(3',7',11',15'-tetramethyl-2'-hexadecenyl)-1,4-naphthoquinone 2-(hydroxymethyl)-3-[(2E)-3,7,11,15-tetramethyl-2-hexadecenyl]naphthoquinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H46O3
InChI InChI=1S/C31H46O3/c1-22(2)11-8-12-23(3)13-9-14-24(4)15-10-16-25(5)19-20-28-29(21-32)31(34)27-18-7-6-17-26(27)30(28)33/h6-7,17-19,22-24,32H,8-16,20-21H2,1-5H3/b25-19+
InChIKey VWNOJGHIKDDKSN-NCELDCMTSA-N
Molecular Weight 466.706 g/mol
SMILES OCC1=C(C(=O)c2c(C1=O)cccc2)C\C=C\(CCCC(CCCC(CCCC(C)C)C)C)C
SPLASH splash10-00di-0090100000-5fb51c5ec6f2e95bd8c4
Source of Spectrum SK-20-434-3
Wiley ID 851358