1-Naphthalenesulfonic acid(85-47-2) IR2
Product Name1-Naphthalenesulfonic acid
CAS85-47-2
Molecular FormulaC10H8O3S
Molecular Weight208.23
InChIInChI=1S/C10H8O3S/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,11,12,13)
InChIKey PSZYNBSKGUBXEH-UHFFFAOYSA-N
SmilesC1(S(O)(=O)=O)=C2C(C=CC=C2)=CC=C1
400 MHz in DMSO-d6
-
1H NMR 399.65 MHz C10 H8 O3 S 0.041 g : 0.5 ml DMSO-d6 1-naphthalenesulfonic acid 
Assign. Shift(ppm)
A 8.836 B 7.995 C 7.92 D *1 7.55 E *1 7.52 F 7.469 G 5.76 ASSIGNED BY C-H COSY.
Hz ppm Int.3536.68 8.850 42 3535.16 8.846 45 3528.59 8.830 37 3527.37 8.827 48 3526.76 8.825 46 3199.46 8.006 67 3198.24 8.003 72 3192.44 7.989 70 3191.07 7.985 75 3171.39 7.936 100 3163.91 7.917 115 3162.54 7.914 94 3018.65 7.554 67 3016.97 7.550 51 3015.59 7.546 37 3011.02 7.535 87 3009.19 7.530 83 3003.54 7.516 46 3002.01 7.512 50 2992.40 7.488 65 2985.23 7.470 71 2984.16 7.467 71 2977.14 7.450 57 2301.33 5.759 1000
in D2O
in DMSO-d6
KBr disc
nujol mull
