2-Formylbenzenesulfonic acid sodium salt(1008-72-6) 13C NMR
Product Name2-Formylbenzenesulfonic acid sodium salt
CAS1008-72-6
Molecular FormulaC7H5NaO4S
Molecular Weight208.17
InChIInChI=1S/C7H6O4S.Na/c8-5-6-3-1-2-4-7(6)12(9,10)11;/h1-5H,(H,9,10,11);/q;+1/p-1
InChIKey ADPUQRRLAAPXGT-UHFFFAOYSA-M
SmilesC1(C=O)C=CC=CC=1S([O-])(=O)=O.[Na+]
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C7 H5 Na O4 S 0.048 g : 0.5 ml DMSO-d6 sodium o-formylbenzenesulfonate 
Assign. Shift(ppm)
A 10.913 B 7.864 C 7.796 D *1 7.645 E *1 7.532
Hz ppm Int.4361.56 10.914 1000 4354.05 10.895 35 3147.90 7.877 349 3147.35 7.876 354 3146.80 7.874 347 3140.21 7.858 425 3139.66 7.857 426 3139.11 7.855 409 3132.15 7.838 34 3130.68 7.834 36 3129.95 7.832 35 3120.61 7.809 339 3119.33 7.806 344 3112.91 7.790 393 3111.63 7.786 389 3063.83 7.667 189 3062.73 7.664 182 3056.32 7.648 381 3055.22 7.645 355 3048.81 7.629 226 3047.71 7.626 204 3017.12 7.550 250 3009.61 7.531 379 3002.10 7.512 171
in DMSO-d6
KBr disc
nujol mull
