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6,7-Dichloro-2,5,8-trihydroxy-3-(.alpha.,.alpha.,4-trimethylbenzyl)-1,4-naphthoquinone
SpectraBase Compound ID KuWcA9l4Rks
InChI InChI=1S/C20H16Cl2O5/c1-8-4-6-9(7-5-8)20(2,3)12-15(23)10-11(18(26)19(12)27)17(25)14(22)13(21)16(10)24/h4-7,24-25,27H,1-3H3
InChIKey TVKRAIDHUKNOTI-UHFFFAOYSA-N
Mol Weight 407.25 g/mol
Molecular Formula C20H16Cl2O5
Exact Mass 406.037479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JbdZ3tPtpLR
Name 6,7-Dichloro-2,5,8-trihydroxy-3-(.alpha.,.alpha.,4-trimethylbenzyl)-1,4-naphthoquinone
Alternate Name(s) 6,7-Dichloro-2,5,8-trihydroxy-3-[1-methyl-1-(4-methylphenyl)ethyl]naphthoquinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H16Cl2O5
InChI InChI=1S/C20H16Cl2O5/c1-8-4-6-9(7-5-8)20(2,3)12-15(23)10-11(18(26)19(12)27)17(25)14(22)13(21)16(10)24/h4-7,24-25,27H,1-3H3
InChIKey TVKRAIDHUKNOTI-UHFFFAOYSA-N
Molecular Weight 407.249 g/mol
SMILES Oc1c2C(C(=C(C(c2c(c(c1Cl)Cl)O)=O)C(c1ccc(cc1)C)(C)C)O)=O
SPLASH splash10-066r-0009500000-617b90e785ac7a1d725e
Source of Spectrum O1-31-213-5
Wiley ID 818827