1,2-NAPHTHOQUINONE-4-SULFONIC ACID SODIUM SALT(521-24-4) IR2
Product Name1,2-NAPHTHOQUINONE-4-SULFONIC ACID SODIUM SALT
CAS521-24-4
Molecular FormulaC10H5NaO5S
Molecular Weight260.2
InChIInChI=1S/C10H6O5S.Na/c11-8-5-9(16(13,14)15)6-3-1-2-4-7(6)10(8)12;/h1-5H,(H,13,14,15);/q;+1/p-1
InChIKey UBLXEEBHYISRFM-UHFFFAOYSA-M
SmilesC1(=CC(C(=O)C2C=CC=CC1=2)=O)S([O-])(=O)=O.[Na+]
400 MHz in DMSO-d6
-
1H NMR 399.65 MHz C10 H5 Na O5 S 0.039 g : 0.5 ml DMSO-d6 sodium 3,4-dioxo-3,4-dihydro-1-naphthalenesulfonate 
Assign. Shift(ppm)
A 8.420 B 7.976 C 7.749 D 7.581 E 6.755 J(B,C)=1.5HZ J(A,D)=1.0HZ
Hz ppm Int.3368.68 8.430 271 3361.36 8.411 286 3192.44 7.989 240 3191.07 7.985 257 3184.81 7.969 269 3183.44 7.966 272 3105.62 7.771 134 3104.10 7.768 136 3097.99 7.752 255 3096.47 7.748 248 3090.06 7.732 159 3088.68 7.729 148 3037.41 7.601 169 3036.35 7.598 174 3029.79 7.582 281 3028.87 7.579 281 3022.31 7.563 141 3021.24 7.560 135 2699.89 6.756 1000
in D2O
KBr disc
nujol mull
