Methyl Orange(547-58-0) IR2
Product NameMethyl Orange
CAS547-58-0
Molecular FormulaC14H14N3NaO3S
Molecular Weight327.33
InChIInChI=1S/C14H15N3O3S.Na/c1-17(2)13-7-3-11(4-8-13)15-16-12-5-9-14(10-6-12)21(18,19)20;/h3-10H,1-2H3,(H,18,19,20);/q;+1/p-1/b16-15+;
InChIKey STZCRXQWRGQSJD-GEEYTBSJSA-M
SmilesC1(/N=N/C2=CC=C(N(C)C)C=C2)=CC=C(S([O-])(=O)=O)C=C1.[Na+]
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C14 H14 N3 Na O3 S 0.029 g : 0.5 ml DMSO-d6 sodium p-(p-(dimethylamino)phenylazo)benzenesulfonate 
Assign. Shift(ppm)
A 7.798 B 7.78 C 7.729 D 6.833 E 3.053
Hz ppm Int.3121.22 7.810 119 3119.14 7.805 35 3114.75 7.794 102 3114.14 7.793 95 3112.06 7.787 139 3108.15 7.778 55 3106.08 7.773 177 3104.37 7.768 37 3094.12 7.743 41 3092.41 7.738 170 3090.33 7.733 44 3085.82 7.722 34 3084.35 7.718 61 3083.74 7.717 82 2735.47 6.845 109 2733.40 6.840 33 2728.39 6.827 35 2726.20 6.822 103 1220.21 3.054 1000
in DMSO-d6
KBr disc
nujol mull
