2,6-Dichloroindophenol sodium salt(620-45-1) IR2
Product Name2,6-Dichloroindophenol sodium salt
CAS620-45-1
Molecular FormulaC12H8Cl2NNaO2
Molecular Weight292.09
InChIInChI=1S/C12H7Cl2NO2.Na/c13-10-5-8(6-11(14)12(10)17)15-7-1-3-9(16)4-2-7;/h1-6,16H;/q;+1/p-1
InChIKey CVSUAFOWIXUYQA-UHFFFAOYSA-M
SmilesC1(/C=C(C(=O)C(Cl)=C/1)Cl)=N\C1C=CC([O-])=CC=1.[Na+]
400 MHz in DMSO-d6
90 MHz in DMSO-d6
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1H NMR 399.65 MHz C12 H6 Cl2 N Na O2 0.030 g : 0.5 ml DMSO-d6 3,5-dichloro-N-(p-hydroxyphenyl)-p-benzoquinone 1-monoimine sodium salt 
Assign. Shift(ppm)
A 7.294 B 7.241 C 6.430
Hz ppm Int.2925.78 7.321 24 2920.17 7.307 167 2915.04 7.294 51 2910.28 7.283 183 2902.22 7.262 30 2900.76 7.259 35 2900.15 7.257 37 2899.78 7.256 37 2893.92 7.242 1000 2574.71 6.443 321 2570.19 6.432 36 2569.46 6.430 36 2564.82 6.418 318
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1H NMR 89.56 MHz C12 H6 Cl2 N Na O2 0.035 g : 0.5 ml DMSO-d6 3,5-dichloro-N-(p-hydroxyphenyl)-p-benzoquinone 1-monoimine sodium salt Assign. Shift(ppm)
A 7.27 B 7.250 C 6.45 SIGNAL H2O WAS DELETED.
Hz ppm Int.668.75 7.468 24 668.25 7.462 26 667.75 7.456 27 659.69 7.366 269 649.31 7.251 1000 638.06 7.125 26 581.81 6.497 340 577.13 6.445 84 572.00 6.387 277 566.06 6.321 35 565.50 6.315 29
KBr disc
nujol mull
4880 A,200 M,liquid
