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3-(4-tert-Butyl-benzyl)-5-hydroxy-2-methyl-[1,4]naphthoquinone
SpectraBase Compound ID 8MaR697aHmj
InChI InChI=1S/C22H22O3/c1-13-17(12-14-8-10-15(11-9-14)22(2,3)4)21(25)19-16(20(13)24)6-5-7-18(19)23/h5-11,23H,12H2,1-4H3
InChIKey CIONIKAVYJABNT-UHFFFAOYSA-N
Mol Weight 334.42 g/mol
Molecular Formula C22H22O3
Exact Mass 334.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 23vOWHidP3
Name 3-(4-tert-Butyl-benzyl)-5-hydroxy-2-methyl-[1,4]naphthoquinone
Appearance Red solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22O3
InChI InChI=1S/C22H22O3/c1-13-17(12-14-8-10-15(11-9-14)22(2,3)4)21(25)19-16(20(13)24)6-5-7-18(19)23/h5-11,23H,12H2,1-4H3
InChIKey CIONIKAVYJABNT-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 334.415 g/mol
SMILES Oc1c2c(ccc1)C(C(=C(C2=O)Cc1ccc(cc1)C(C)(C)C)C)=O
SPLASH splash10-014i-0129000000-66bb9568ba8acf502bb6
Source of Spectrum US20110059972A1
Wiley ID 1861708