For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
6,7-Dichloro-2,5,8-trihydroxy-2-(.alpha.,.alpha.,4-trimethylbenzyl)-2,3-dihydro-1,4-naphthoquinone
SpectraBase Compound ID 7JLMSzqqf3I
InChI InChI=1S/C20H18Cl2O5/c1-9-4-6-10(7-5-9)19(2,3)20(27)8-11(23)12-13(18(20)26)17(25)15(22)14(21)16(12)24/h4-7,24-25,27H,8H2,1-3H3
InChIKey ZAPPCVCNEBOGEJ-UHFFFAOYSA-N
Mol Weight 409.27 g/mol
Molecular Formula C20H18Cl2O5
Exact Mass 408.053129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 1IZdeI818kf
Name 6,7-Dichloro-2,5,8-trihydroxy-2-(.alpha.,.alpha.,4-trimethylbenzyl)-2,3-dihydro-1,4-naphthoquinone
Alternate Name(s) 6,7-Dichloro-2,5,8-trihydroxy-2-[1-methyl-1-(4-methylphenyl)ethyl]-2,3-dihydro-1,4-naphthalenedione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18Cl2O5
InChI InChI=1S/C20H18Cl2O5/c1-9-4-6-10(7-5-9)19(2,3)20(27)8-11(23)12-13(18(20)26)17(25)15(22)14(21)16(12)24/h4-7,24-25,27H,8H2,1-3H3
InChIKey ZAPPCVCNEBOGEJ-UHFFFAOYSA-N
Molecular Weight 409.265 g/mol
SMILES Oc1c2c(c(c(c1Cl)Cl)O)C(C(CC2=O)(C(c1ccc(cc1)C)(C)C)O)=O
SPLASH splash10-00fr-0092000000-5cb095afb3b04ead70c8
Source of Spectrum O1-31-213-7
Wiley ID 818824