Sodium hydrogen phthalate(827-27-0) 1H NMR
Product NameSodium hydrogen phthalate
CAS827-27-0
Molecular FormulaC8H5NaO4
Molecular Weight188.11
InChIInChI=1S/C8H6O4.Na/c9-7(10)5-3-1-2-4-6(5)8(11)12;/h1-4H,(H,9,10)(H,11,12);/q;+1/p-1
InChIKey IZUPJOYPPLEPGM-UHFFFAOYSA-M
SmilesC1(C(=O)O)C=CC=CC=1C([O-])=O.[Na+]
400 MHz in DMSO-d6
-
1H NMR 399.65 MHz C8 H5 Na O4 0.038 g : 0.5 ml DMSO-d6 sodium hydrogen phthalate 
Assign. Shift(ppm)
A 8.222 B 7.549
Hz ppm Int.3294.98 8.245 76 3294.22 8.243 91 3290.86 8.235 916 3287.35 8.226 848 3284.91 8.220 829 3281.40 8.211 995 3278.05 8.203 120 3277.44 8.201 107 3271.33 8.186 22 3025.21 7.570 101 3021.85 7.562 1000 3018.34 7.553 843 3015.90 7.547 845 3012.39 7.538 948 3009.03 7.530 110 3008.27 7.528 98 3006.59 7.524 31 3005.52 7.521 26 3003.54 7.516 21 3002.78 7.514 22
in DMSO-d6
in D2O
KBr disc
nujol mull
4880 A,200 M,powder
